2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide

C17H16ClN3OS — CID 82030263

IUPAC2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2C(C)C(N)=S)cc1
InChIInChI=1S/C17H16ClN3OS/c1-10(17(19)23)16-15(11-3-6-13(22-2)7-4-11)20-14-8-5-12(18)9-21(14)16/h3-10H,1-2H3,(H2,19,23)
InChIKeyHYAPZTOLNXDALU-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.05
Rot. Bonds4

About 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide

2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide (PubChem CID 82030263) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
PubChem CID82030263
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2C(C)C(N)=S)cc1
InChIInChI=1S/C17H16ClN3OS/c1-10(17(19)23)16-15(11-3-6-13(22-2)7-4-11)20-14-8-5-12(18)9-21(14)16/h3-10H,1-2H3,(H2,19,23)
InChIKeyHYAPZTOLNXDALU-UHFFFAOYSA-N
XLogP4.05
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.05
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-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030268
1-[6-chloro-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029502
6-chloro-2-(4-methoxyphenyl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-3-amine
CID 861013
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023756
2-(6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
CID 82030210
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
2-[6-chloro-3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912634
3-(4-methoxyphenyl)-1-methylpyrazole-4-carbothioamide
CID 39096392
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
6-chloro-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
CID 132838378
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide?
The IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide (CID 82030263) is 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide?
The canonical SMILES for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide is COc1ccc(-c2nc3ccc(Cl)cn3c2C(C)C(N)=S)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide?
The InChIKey is HYAPZTOLNXDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-10(17(19)23)16-15(11-3-6-13(22-2)7-4-11)20-14-8-5-12(18)9-21(14)16/h3-10H,1-2H3,(H2,19,23).
What are the key properties of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide?
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide has a molecular weight of 345.86 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide is sourced from PubChem (CID 82030263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).