N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine

C12H17N3S — CID 115639682

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cnc2ccccn12
InChIInChI=1S/C12H17N3S/c1-10(9-16-2)13-7-11-8-14-12-5-3-4-6-15(11)12/h3-6,8,10,13H,7,9H2,1-2H3
InChIKeyJHCBDJPXCMKOLF-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.18
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine (PubChem CID 115639682) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
PubChem CID115639682
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cnc2ccccn12
InChIInChI=1S/C12H17N3S/c1-10(9-16-2)13-7-11-8-14-12-5-3-4-6-15(11)12/h3-6,8,10,13H,7,9H2,1-2H3
InChIKeyJHCBDJPXCMKOLF-UHFFFAOYSA-N
XLogP2.18
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
1-(2,4-dimethylphenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)propan-2-amine
CID 86902138
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886111
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine
CID 115651305
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 87021478
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine (CID 115639682) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1cnc2ccccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine?
The InChIKey is JHCBDJPXCMKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10(9-16-2)13-7-11-8-14-12-5-3-4-6-15(11)12/h3-6,8,10,13H,7,9H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115639682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).