2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

C14H9Cl3N4OS — CID 2045265

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3N4OS/c15-7-1-8(16)3-10(2-7)19-12(22)6-23-14-20-11-4-9(17)5-18-13(11)21-14/h1-5H,6H2,(H,19,22)(H,18,20,21)
InChIKeyRJKLPBDHQWLTAC-UHFFFAOYSA-N
MW387.68 g/mol
LogP4.65
Rot. Bonds4

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 2045265) has the molecular formula C14H9Cl3N4OS and a molecular weight of 387.68 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
PubChem CID2045265
Molecular FormulaC14H9Cl3N4OS
Molecular Weight387.68 g/mol
Exact Mass385.96
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl3N4OS/c15-7-1-8(16)3-10(2-7)19-12(22)6-23-14-20-11-4-9(17)5-18-13(11)21-14/h1-5H,6H2,(H,19,22)(H,18,20,21)
InChIKeyRJKLPBDHQWLTAC-UHFFFAOYSA-N
XLogP4.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.68
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3690567
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 3800639
N-(3-bromophenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 2041570
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8853296
N-(3-acetylphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 7624647
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 7624317
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2048600
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 7624471
propyl 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 7624371
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7624406
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7624335
N-(5-acetamido-2-methoxyphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 3962624

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (CID 2045265) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide is O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is RJKLPBDHQWLTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N4OS/c15-7-1-8(16)3-10(2-7)19-12(22)6-23-14-20-11-4-9(17)5-18-13(11)21-14/h1-5H,6H2,(H,19,22)(H,18,20,21).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 387.68 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2045265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).