2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide

C12H16N4OS — CID 81138200

IUPAC2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2[nH]c(=S)n(CC(=O)NC(C)C)c2n1
InChIInChI=1S/C12H16N4OS/c1-7(2)13-10(17)6-16-11-9(15-12(16)18)5-4-8(3)14-11/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyQLNICAHOXVGILE-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.93
Rot. Bonds3

About 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide

2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide (PubChem CID 81138200) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
PubChem CID81138200
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2[nH]c(=S)n(CC(=O)NC(C)C)c2n1
InChIInChI=1S/C12H16N4OS/c1-7(2)13-10(17)6-16-11-9(15-12(16)18)5-4-8(3)14-11/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18)
InChIKeyQLNICAHOXVGILE-UHFFFAOYSA-N
XLogP1.93
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide (CID 81138200) is 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide is Cc1ccc2[nH]c(=S)n(CC(=O)NC(C)C)c2n1.
What is the InChIKey of 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is QLNICAHOXVGILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)13-10(17)6-16-11-9(15-12(16)18)5-4-8(3)14-11/h4-5,7H,6H2,1-3H3,(H,13,17)(H,15,18).
What are the key properties of 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide?
2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 81138200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).