2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide

C8H8N4OS — CID 79289461

IUPAC2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C8H8N4OS/c9-6(13)4-12-7-5(11-8(12)14)2-1-3-10-7/h1-3H,4H2,(H2,9,13)(H,11,14)
InChIKeySXBODBXAPOYARO-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.58
Rot. Bonds2

About 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide

2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (PubChem CID 79289461) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
PubChem CID79289461
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2cccnc21
InChIInChI=1S/C8H8N4OS/c9-6(13)4-12-7-5(11-8(12)14)2-1-3-10-7/h1-3H,4H2,(H2,9,13)(H,11,14)
InChIKeySXBODBXAPOYARO-UHFFFAOYSA-N
XLogP0.58
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (CID 79289461) is 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is NC(=O)Cn1c(=S)[nH]c2cccnc21.
What is the InChIKey of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The InChIKey is SXBODBXAPOYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-6(13)4-12-7-5(11-8(12)14)2-1-3-10-7/h1-3H,4H2,(H2,9,13)(H,11,14).
What are the key properties of 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide has a molecular weight of 208.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 79289461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).