N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C14H11ClN4OS — CID 720186

IUPACN-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)17-12(20)8-21-14-18-11-2-1-7-16-13(11)19-14/h1-7H,8H2,(H,17,20)(H,16,18,19)
InChIKeyCKJNNZANUQLAEK-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.34
Rot. Bonds4

About N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 720186) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID720186
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC NameN-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)17-12(20)8-21-14-18-11-2-1-7-16-13(11)19-14/h1-7H,8H2,(H,17,20)(H,16,18,19)
InChIKeyCKJNNZANUQLAEK-UHFFFAOYSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-chlorophenyl)-
CID 218692
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
dCeMM3
CID 684872
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 2087499
N-(4-Chloro-phenyl)-2-(5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3161717
6-chloro-2-[(3-fluorophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 3747580
4-[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]propanoylamino]benzamide
CID 24687510
2-(6-Amino-9H-purin-8-ylsulfanyl)-N-(2-fluoro-phenyl)-acetamide
CID 24792449
2-(4-Chloro-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
CID 580871
2-(3H-Imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(3-methyl-piperidin-1-yl)-ethanone
CID 587182

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 720186) is N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is O=C(CSc1nc2ncccc2[nH]1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is CKJNNZANUQLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)17-12(20)8-21-14-18-11-2-1-7-16-13(11)19-14/h1-7H,8H2,(H,17,20)(H,16,18,19).
What are the key properties of N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 720186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).