[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine

C13H17N3S — CID 117140785

IUPAC[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2cnc(CC3CCCS3)n12
InChIInChI=1S/C13H17N3S/c14-8-10-3-1-4-11-9-15-13(16(10)11)7-12-5-2-6-17-12/h1,3-4,9,12H,2,5-8,14H2
InChIKeyKBHQJDZTGYQYJJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.23
Rot. Bonds3

About [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine

[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117140785) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117140785
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2cnc(CC3CCCS3)n12
InChIInChI=1S/C13H17N3S/c14-8-10-3-1-4-11-9-15-13(16(10)11)7-12-5-2-6-17-12/h1,3-4,9,12H,2,5-8,14H2
InChIKeyKBHQJDZTGYQYJJ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine (CID 117140785) is [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine is NCc1cccc2cnc(CC3CCCS3)n12.
What is the InChIKey of [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is KBHQJDZTGYQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-8-10-3-1-4-11-9-15-13(16(10)11)7-12-5-2-6-17-12/h1,3-4,9,12H,2,5-8,14H2.
What are the key properties of [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine?
[3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-2-ylmethyl)imidazo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117140785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).