[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine

C13H17N3S — CID 117129046

IUPAC[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(CC3CCSC3)cn2c1
InChIInChI=1S/C13H17N3S/c14-6-11-1-2-13-15-12(8-16(13)7-11)5-10-3-4-17-9-10/h1-2,7-8,10H,3-6,9,14H2
InChIKeyZYJCJBFCWYFWEV-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.09
Rot. Bonds3

About [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine

[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 117129046) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID117129046
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(CC3CCSC3)cn2c1
InChIInChI=1S/C13H17N3S/c14-6-11-1-2-13-15-12(8-16(13)7-11)5-10-3-4-17-9-10/h1-2,7-8,10H,3-6,9,14H2
InChIKeyZYJCJBFCWYFWEV-UHFFFAOYSA-N
XLogP2.09
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129093
2-(thian-4-ylmethyl)imidazo[1,2-a]pyridin-6-ol
CID 117129235
2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136074
[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129906
8-methyl-2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117136072
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117128913
7-piperazin-1-yl-2-(thian-4-ylmethyl)imidazo[1,2-a]pyridine
CID 117236324
7-methyl-2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117156496
[2-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117128776
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117155268
[2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223649
N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
CID 155702903

Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine (CID 117129046) is [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine is NCc1ccc2nc(CC3CCSC3)cn2c1.
What is the InChIKey of [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is ZYJCJBFCWYFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-6-11-1-2-13-15-12(8-16(13)7-11)5-10-3-4-17-9-10/h1-2,7-8,10H,3-6,9,14H2.
What are the key properties of [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117129046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).