2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine

C15H14ClN3S — CID 63818326

IUPAC2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESNCCc1c(Sc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H14ClN3S/c16-11-4-3-5-12(10-11)20-15-13(7-8-17)19-9-2-1-6-14(19)18-15/h1-6,9-10H,7-8,17H2
InChIKeyCQJWJGLDSHGLSY-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.64
Rot. Bonds4

About 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 63818326) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID63818326
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESNCCc1c(Sc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H14ClN3S/c16-11-4-3-5-12(10-11)20-15-13(7-8-17)19-9-2-1-6-14(19)18-15/h1-6,9-10H,7-8,17H2
InChIKeyCQJWJGLDSHGLSY-UHFFFAOYSA-N
XLogP3.64
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63808260
[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809922
2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63818050
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
3-(3-chlorophenyl)sulfanyl-2-phenylimidazo[1,2-a]pyridine
CID 138982066
[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63806284
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
2-[2-(2-chlorophenoxy)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63803095
[6-(3-chlorophenyl)sulfanyl-2-pyridinyl]methanamine
CID 64587188
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
2-[2-(2-ethylimidazol-1-yl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 55239507
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine (CID 63818326) is 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine is NCCc1c(Sc2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is CQJWJGLDSHGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-11-4-3-5-12(10-11)20-15-13(7-8-17)19-9-2-1-6-14(19)18-15/h1-6,9-10H,7-8,17H2.
What are the key properties of 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 303.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 63818326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).