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

C15H14ClN3S — CID 63808260

IUPAC1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H14ClN3S/c1-17-10-13-15(18-14-7-2-3-8-19(13)14)20-12-6-4-5-11(16)9-12/h2-9,17H,10H2,1H3
InChIKeyIGXQBQPIVQRQDJ-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.86
Rot. Bonds4

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

1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 63808260) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID63808260
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(Sc2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H14ClN3S/c1-17-10-13-15(18-14-7-2-3-8-19(13)14)20-12-6-4-5-11(16)9-12/h2-9,17H,10H2,1H3
InChIKeyIGXQBQPIVQRQDJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.33 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63818326
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 107783257
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
1-[2-(2-bromo-4-chlorophenoxy)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 43478720
3-(3-chlorophenyl)sulfanyl-2-phenylimidazo[1,2-a]pyridine
CID 138982066
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480
1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63804595
[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809922
N-methyl-1-(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 43478544
N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 107761569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 63808260) is 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1c(Sc2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is IGXQBQPIVQRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-17-10-13-15(18-14-7-2-3-8-19(13)14)20-12-6-4-5-11(16)9-12/h2-9,17H,10H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 303.82 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63808260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).