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

C16H16ClN3S — CID 63806480

IUPACN-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C16H16ClN3S/c1-2-18-11-13-16(19-15-9-5-6-10-20(13)15)21-14-8-4-3-7-12(14)17/h3-10,18H,2,11H2,1H3
InChIKeyVJPMRIJCEUFRSU-UHFFFAOYSA-N
MW317.85 g/mol
LogP4.25
Rot. Bonds5

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

N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (PubChem CID 63806480) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
PubChem CID63806480
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC NameN-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
SMILESCCNCc1c(Sc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C16H16ClN3S/c1-2-18-11-13-16(19-15-9-5-6-10-20(13)15)21-14-8-4-3-7-12(14)17/h3-10,18H,2,11H2,1H3
InChIKeyVJPMRIJCEUFRSU-UHFFFAOYSA-N
XLogP4.25
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63805879
N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 55239075
N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 63805663
N-[(2-pyrazol-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43478543
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 107783257
3-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)imidazo[1,2-a]pyridin-2-amine
CID 43478486
[2-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813667
[2-(2-bromophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813270
1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63808260
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115591883
3-(ethylaminomethyl)-N,N-dipropylimidazo[1,2-a]pyridin-2-amine
CID 43478234

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine (CID 63806480) is N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is CCNCc1c(Sc2ccccc2Cl)nc2ccccn12.
What is the InChIKey of N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
The InChIKey is VJPMRIJCEUFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-2-18-11-13-16(19-15-9-5-6-10-20(13)15)21-14-8-4-3-7-12(14)17/h3-10,18H,2,11H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine?
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine has a molecular weight of 317.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63806480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).