2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C19H23N5OS2 — CID 650398

IUPAC2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C
InChIInChI=1S/C19H23N5OS2/c1-12-13(2)27-18(21-12)23-16(25)11-26-19-22-15-9-6-10-20-17(15)24(19)14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11H2,1-2H3,(H,21,23,25)
InChIKeyDMCUDHXYPZVQMI-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.74
Rot. Bonds5

About 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 650398) has the molecular formula C19H23N5OS2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID650398
Molecular FormulaC19H23N5OS2
Molecular Weight401.56 g/mol
Exact Mass401.13
IUPAC Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C
InChIInChI=1S/C19H23N5OS2/c1-12-13(2)27-18(21-12)23-16(25)11-26-19-22-15-9-6-10-20-17(15)24(19)14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11H2,1-2H3,(H,21,23,25)
InChIKeyDMCUDHXYPZVQMI-UHFFFAOYSA-N
XLogP4.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine
CID 71680558
9-butyl-8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850833
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-Cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138118
1-[(3S)-3-[[4-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 56925241
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 71679146
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725785
3-[2-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 89726463
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-bromo-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726625

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 650398) is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C.
What is the InChIKey of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DMCUDHXYPZVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS2/c1-12-13(2)27-18(21-12)23-16(25)11-26-19-22-15-9-6-10-20-17(15)24(19)14-7-4-3-5-8-14/h6,9-10,14H,3-5,7-8,11H2,1-2H3,(H,21,23,25).
What are the key properties of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 401.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 650398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).