2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C15H14N4S — CID 39134209

IUPAC2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1cccn2c(CC(N)=S)c(-c3cccnc3)nc12
InChIInChI=1S/C15H14N4S/c1-10-4-3-7-19-12(8-13(16)20)14(18-15(10)19)11-5-2-6-17-9-11/h2-7,9H,8H2,1H3,(H2,16,20)
InChIKeyIDEDGKIFTRROCO-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.53
Rot. Bonds3

About 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 39134209) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID39134209
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESCc1cccn2c(CC(N)=S)c(-c3cccnc3)nc12
InChIInChI=1S/C15H14N4S/c1-10-4-3-7-19-12(8-13(16)20)14(18-15(10)19)11-5-2-6-17-9-11/h2-7,9H,8H2,1H3,(H2,16,20)
InChIKeyIDEDGKIFTRROCO-UHFFFAOYSA-N
XLogP2.53
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127972
2-[4-[[(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)amino]methyl]phenyl]guanidine
CID 127041163
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 82529440
CID 89392592
CID 89392592
3-(chloromethyl)-2-(3,4-dimethylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126353
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942
1-chloro-8-methyl-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 117252364
2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
2-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127805
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
CID 122382361
3-(chloromethyl)-2-(4-methoxy-3-methylphenyl)-8-methylimidazo[1,2-a]pyridine
CID 39126375
2-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134156

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 39134209) is 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is Cc1cccn2c(CC(N)=S)c(-c3cccnc3)nc12.
What is the InChIKey of 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is IDEDGKIFTRROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-4-3-7-19-12(8-13(16)20)14(18-15(10)19)11-5-2-6-17-9-11/h2-7,9H,8H2,1H3,(H2,16,20).
What are the key properties of 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 282.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 39134209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).