6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole

Details

• Internal ID: 02c803a4-2106-4bfc-a3bf-89dca35ac6c1
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indoles
• IUPAC Name: 2-(6-methoxy-1H-indol-3-yl)-1,3-thiazole
• SMILES (Canonical): COC1=CC2=C(C=C1)C(=CN2)C3=NC=CS3
• SMILES (Isomeric): COC1=CC2=C(C=C1)C(=CN2)C3=NC=CS3
• InChI: InChI=1S/C12H10N2OS/c1-15-8-2-3-9-10(7-14-11(9)6-8)12-13-4-5-16-12/h2-7,14H,1H3
• InChI Key: FGXYYCWDPYDAOS-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀N₂OS
• Molecular Weight: 230.29 g/mol
• Exact Mass: 230.05138412 g/mol
• Topological Polar Surface Area (TPSA): 66.20 Ų
• XlogP: 2.70

Synonyms

• 135531-87-2
• 6-methoxy-3-(1,3-thiazol-2-yl)-1H-indole
• 6-Methoxy-3-(2-thiazolyl)-1H-indole
• Methoxycamalexin
• 1H-Indole, 6-methoxy-3-(2-thiazolyl)-
• 6-methoxy-3-thiazol-2-yl-1H-indole
• CHEMBL2251538
• SCHEMBL12993653
• DTXSID70457289
• CHEBI:136941
• 6-methoxy-3-(thiazol-2-yl)indole

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	97.94%	93.24%
CHEMBL1951	P21397	Monoamine oxidase A	97.46%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.89%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.29%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.86%	94.00%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	94.75%	96.47%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	91.88%	92.67%
CHEMBL4208	P20618	Proteasome component C5	91.83%	90.00%
CHEMBL5747	Q92793	CREB-binding protein	90.77%	95.12%
CHEMBL2535	P11166	Glucose transporter	90.62%	98.75%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	90.32%	80.96%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.30%	99.15%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	89.07%	85.30%
CHEMBL1907	P15144	Aminopeptidase N	88.28%	93.31%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	88.06%	85.49%
CHEMBL2736	Q14833	Metabotropic glutamate receptor 4	86.57%	97.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.52%	94.45%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	86.25%	82.86%
CHEMBL213	P08588	Beta-1 adrenergic receptor	85.97%	95.56%
CHEMBL3492	P49721	Proteasome Macropain subunit	84.68%	90.24%
CHEMBL2581	P07339	Cathepsin D	84.10%	98.95%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.35%	92.62%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.21%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.06%	95.56%
CHEMBL202	P00374	Dihydrofolate reductase	82.86%	89.92%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.65%	86.33%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	82.56%	100.00%
CHEMBL2243	O00519	Anandamide amidohydrolase	81.66%	97.53%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.86%	89.62%
CHEMBL255	P29275	Adenosine A2b receptor	80.84%	98.59%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	80.41%	96.67%

Plants that contains it

• Arabidopsis thaliana
• Camelina sativa

Cross-Links

• PubChem: 11160579
• LOTUS: LTS0245424
• wikiData: Q82280081