2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

C16H16N4S — CID 82030210

IUPAC2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1ccc2nc(-c3cccnc3)c(C(C)C(N)=S)n2c1
InChIInChI=1S/C16H16N4S/c1-10-5-6-13-19-14(12-4-3-7-18-8-12)15(20(13)9-10)11(2)16(17)21/h3-9,11H,1-2H3,(H2,17,21)
InChIKeyCQDPSDIKOPVYBJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.09
Rot. Bonds3

About 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (PubChem CID 82030210) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.

Molecular Properties

Compound Name2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
PubChem CID82030210
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1ccc2nc(-c3cccnc3)c(C(C)C(N)=S)n2c1
InChIInChI=1S/C16H16N4S/c1-10-5-6-13-19-14(12-4-3-7-18-8-12)15(20(13)9-10)11(2)16(17)21/h3-9,11H,1-2H3,(H2,17,21)
InChIKeyCQDPSDIKOPVYBJ-UHFFFAOYSA-N
XLogP3.09
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.09
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

3-(1-chloroethyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 82029837
N,N-dimethyl-1-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82530360
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395
1-(7-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029433
1-(6-chloro-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029578
N-(4-chlorophenyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 7012493
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030263
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
CID 67027547
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide
CID 91124806
2-[2-(4-methoxy-3-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030222

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The IUPAC name of 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (CID 82030210) is 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.
What is the SMILES notation for 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The canonical SMILES for 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is Cc1ccc2nc(-c3cccnc3)c(C(C)C(N)=S)n2c1.
What is the InChIKey of 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The InChIKey is CQDPSDIKOPVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10-5-6-13-19-14(12-4-3-7-18-8-12)15(20(13)9-10)11(2)16(17)21/h3-9,11H,1-2H3,(H2,17,21).
What are the key properties of 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide has a molecular weight of 296.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is sourced from PubChem (CID 82030210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).