2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

C14H11ClN4S — CID 39134128

IUPAC2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccncc2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H11ClN4S/c15-10-1-2-13-18-14(9-3-5-17-6-4-9)11(7-12(16)20)19(13)8-10/h1-6,8H,7H2,(H2,16,20)
InChIKeyDSVLGZCQKBJGIZ-UHFFFAOYSA-N
MW302.79 g/mol
LogP2.88
Rot. Bonds3

About 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide

2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (PubChem CID 39134128) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
PubChem CID39134128
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
SMILESNC(=S)Cc1c(-c2ccncc2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H11ClN4S/c15-10-1-2-13-18-14(9-3-5-17-6-4-9)11(7-12(16)20)19(13)8-10/h1-6,8H,7H2,(H2,16,20)
InChIKeyDSVLGZCQKBJGIZ-UHFFFAOYSA-N
XLogP2.88
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 52.88
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-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 92939186
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
2-(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134126
6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39148253
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39133014
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
CID 163800953
[6-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199144
2-(7-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82530035

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide (CID 39134128) is 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is NC(=S)Cc1c(-c2ccncc2)nc2ccc(Cl)cn12.
What is the InChIKey of 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
The InChIKey is DSVLGZCQKBJGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-10-1-2-13-18-14(9-3-5-17-6-4-9)11(7-12(16)20)19(13)8-10/h1-6,8H,7H2,(H2,16,20).
What are the key properties of 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide?
2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide has a molecular weight of 302.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 39134128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).