3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide

C15H16N4S2 — CID 94757870

IUPAC3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
SMILESCc1cnc2c(c1)nc(Cc1cccs1)n2CCC(N)=S
InChIInChI=1S/C15H16N4S2/c1-10-7-12-15(17-9-10)19(5-4-13(16)20)14(18-12)8-11-3-2-6-21-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,20)
InChIKeyXRQUNGIQRIPHHW-UHFFFAOYSA-N
MW316.46 g/mol
LogP3.07
Rot. Bonds5

About 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide

3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide (PubChem CID 94757870) has the molecular formula C15H16N4S2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide.

Molecular Properties

Compound Name3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
PubChem CID94757870
Molecular FormulaC15H16N4S2
Molecular Weight316.46 g/mol
Exact Mass316.08
IUPAC Name3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
SMILESCc1cnc2c(c1)nc(Cc1cccs1)n2CCC(N)=S
InChIInChI=1S/C15H16N4S2/c1-10-7-12-15(17-9-10)19(5-4-13(16)20)14(18-12)8-11-3-2-6-21-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,20)
InChIKeyXRQUNGIQRIPHHW-UHFFFAOYSA-N
XLogP3.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143568
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
3-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)propanethioamide
CID 94756528
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143979
2-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
CID 82151301
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150914

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide?
The IUPAC name of 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide (CID 94757870) is 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide.
What is the SMILES notation for 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide?
The canonical SMILES for 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide is Cc1cnc2c(c1)nc(Cc1cccs1)n2CCC(N)=S.
What is the InChIKey of 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide?
The InChIKey is XRQUNGIQRIPHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c1-10-7-12-15(17-9-10)19(5-4-13(16)20)14(18-12)8-11-3-2-6-21-11/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,20).
What are the key properties of 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide?
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide has a molecular weight of 316.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide is sourced from PubChem (CID 94757870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).