1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine

C17H19N3S — CID 63818822

IUPAC1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
SMILESCc1ccccc1Sc1nc2ccccn2c1CC(C)N
InChIInChI=1S/C17H19N3S/c1-12-7-3-4-8-15(12)21-17-14(11-13(2)18)20-10-6-5-9-16(20)19-17/h3-10,13H,11,18H2,1-2H3
InChIKeyQJKLSKJUIWTCDW-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine

1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine (PubChem CID 63818822) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
PubChem CID63818822
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
SMILESCc1ccccc1Sc1nc2ccccn2c1CC(C)N
InChIInChI=1S/C17H19N3S/c1-12-7-3-4-8-15(12)21-17-14(11-13(2)18)20-10-6-5-9-16(20)19-17/h3-10,13H,11,18H2,1-2H3
InChIKeyQJKLSKJUIWTCDW-UHFFFAOYSA-N
XLogP3.68
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
1-[2-(1-methyltetrazol-5-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63819265
1-(2-butylsulfanylimidazo[1,2-a]pyridin-3-yl)propan-2-amine
CID 63819837
[2-(2,4-dimethylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63812601
[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63806284
[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-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl)butan-2-amine
CID 55237980
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191
[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63807650
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 107783257
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine (CID 63818822) is 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine is Cc1ccccc1Sc1nc2ccccn2c1CC(C)N.
What is the InChIKey of 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
The InChIKey is QJKLSKJUIWTCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12-7-3-4-8-15(12)21-17-14(11-13(2)18)20-10-6-5-9-16(20)19-17/h3-10,13H,11,18H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine?
1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine has a molecular weight of 297.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 63818822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).