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

C16H16N4OS — CID 606016

IUPAC2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)NCCc1ccccc1
InChIInChI=1S/C16H16N4OS/c21-14(17-10-8-12-5-2-1-3-6-12)11-22-16-19-13-7-4-9-18-15(13)20-16/h1-7,9H,8,10-11H2,(H,17,21)(H,18,19,20)
InChIKeyIFHAUPSQDLXLPH-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.41
Rot. Bonds6

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

2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide (PubChem CID 606016) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide
PubChem CID606016
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nc2ncccc2[nH]1)NCCc1ccccc1
InChIInChI=1S/C16H16N4OS/c21-14(17-10-8-12-5-2-1-3-6-12)11-22-16-19-13-7-4-9-18-15(13)20-16/h1-7,9H,8,10-11H2,(H,17,21)(H,18,19,20)
InChIKeyIFHAUPSQDLXLPH-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide (CID 606016) is 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide is O=C(CSc1nc2ncccc2[nH]1)NCCc1ccccc1.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide?
The InChIKey is IFHAUPSQDLXLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-14(17-10-8-12-5-2-1-3-6-12)11-22-16-19-13-7-4-9-18-15(13)20-16/h1-7,9H,8,10-11H2,(H,17,21)(H,18,19,20).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide?
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).