2-Isobutylthiazole

Details

• Internal ID: d2b8979c-fde1-4866-8c5e-d1049aa9a07d
• Taxonomy: Organoheterocyclic compounds > Azoles > Thiazoles
• IUPAC Name: 2-(2-methylpropyl)-1,3-thiazole
• InChI: InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3
• InChI Key: CMPVUVUNJQERIT-UHFFFAOYSA-N
• Popularity: 104 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₁NS
• Molecular Weight: 141.24 g/mol
• Exact Mass: 141.06122053 g/mol
• Topological Polar Surface Area (TPSA): 41.10 Ų
• XlogP: 2.60

Synonyms

• 18640-74-9
• 2-Isobutyl-1,3-thiazole
• Thiazole, 2-isobutyl-
• 2-(2-methylpropyl)-1,3-thiazole
• Thiazole, 2-(2-methylpropyl)-
• 2-(2-Methylpropyl)thiazole
• 2-ISOBUTYL THIAZOLE
• FEMA No. 3134
• 2-(2-Methylpropyl) thiazole
• 7N03TDY75D
• DTXSID5025653
• NSC-290430
• Thiazole, (2-methylpropyl)-
• EINECS 242-470-1
• NSC 290430
• UNII-7N03TDY75D
• 2-(2-Methylpropyl)-thiazole
• 2-iso-butylthiazole
• 2-isobutyl-thiazole
• 2-Isobutylthiazole, 8CI
• 2-Isobutylthiazole, 99%
• MLS001050182
• 2-Isobutyl-1,3-thiazole #
• SCHEMBL104654
• DTXCID405653
• CHEMBL1870000
• Thiazole, 2-isobutyl- (8CI)
• FEMA 3134
• 2-ISOBUTYLTHIAZOLE [FHFI]
• CHEBI:133683
• HMS2268E14
• 2-Isobutylthiazole, >=99%, FG
• Tox21_200301
• MFCD00005334
• NSC290430
• AKOS006220477
• DS-6430
• NCGC00091727-01
• NCGC00091727-02
• NCGC00257855-01
• SMR000112244
• CAS-18640-74-9
• CS-0154238
• FT-0612693
• I0652
• O10809
• EN300-1238472
• Q-100222
• Q17193142
• InChI=1/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.26%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.61%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	88.39%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	86.97%	90.24%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	86.69%	93.10%
CHEMBL221	P23219	Cyclooxygenase-1	85.76%	90.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.20%	89.34%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.17%	96.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.67%	85.14%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	82.62%	100.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	82.40%	96.90%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 62725
• LOTUS: LTS0060632
• wikiData: Q17193142