3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine

C12H15N3S — CID 117143877

IUPAC3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCSC3)ncc2c1
InChIInChI=1S/C12H15N3S/c13-10-1-3-15-11(6-10)7-14-12(15)5-9-2-4-16-8-9/h1,3,6-7,9H,2,4-5,8,13H2
InChIKeyXMIVHWOBESHPOB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.21
Rot. Bonds2

About 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine

3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine (PubChem CID 117143877) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
PubChem CID117143877
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
SMILESNc1ccn2c(CC3CCSC3)ncc2c1
InChIInChI=1S/C12H15N3S/c13-10-1-3-15-11(6-10)7-14-12(15)5-9-2-4-16-8-9/h1,3,6-7,9H,2,4-5,8,13H2
InChIKeyXMIVHWOBESHPOB-UHFFFAOYSA-N
XLogP2.21
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine (CID 117143877) is 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine is Nc1ccn2c(CC3CCSC3)ncc2c1.
What is the InChIKey of 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine?
The InChIKey is XMIVHWOBESHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-10-1-3-15-11(6-10)7-14-12(15)5-9-2-4-16-8-9/h1,3,6-7,9H,2,4-5,8,13H2.
What are the key properties of 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine?
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine has a molecular weight of 233.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117143877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).