3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine

C11H13N3S — CID 117146502

IUPAC3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(C3CCCS3)ncc12
InChIInChI=1S/C11H13N3S/c12-8-3-1-5-14-9(8)7-13-11(14)10-4-2-6-15-10/h1,3,5,7,10H,2,4,6,12H2
InChIKeyPKOAZKVGMXCMNF-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.48
Rot. Bonds1

About 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine

3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine (PubChem CID 117146502) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine
PubChem CID117146502
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine
SMILESNc1cccn2c(C3CCCS3)ncc12
InChIInChI=1S/C11H13N3S/c12-8-3-1-5-14-9(8)7-13-11(14)10-4-2-6-15-10/h1,3,5,7,10H,2,4,6,12H2
InChIKeyPKOAZKVGMXCMNF-UHFFFAOYSA-N
XLogP2.48
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine?
The IUPAC name of 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine (CID 117146502) is 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine?
The canonical SMILES for 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine is Nc1cccn2c(C3CCCS3)ncc12.
What is the InChIKey of 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine?
The InChIKey is PKOAZKVGMXCMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-8-3-1-5-14-9(8)7-13-11(14)10-4-2-6-15-10/h1,3,5,7,10H,2,4,6,12H2.
What are the key properties of 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine?
3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine has a molecular weight of 219.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)imidazo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117146502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).