3-(thian-2-yl)imidazo[1,5-a]pyridine

C12H14N2S — CID 117139141

IUPAC3-(thian-2-yl)imidazo[1,5-a]pyridine
SMILESc1ccn2c(C3CCCCS3)ncc2c1
InChIInChI=1S/C12H14N2S/c1-3-7-14-10(5-1)9-13-12(14)11-6-2-4-8-15-11/h1,3,5,7,9,11H,2,4,6,8H2
InChIKeyWZQSCEIPRLIZQU-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.29
Rot. Bonds1

About 3-(thian-2-yl)imidazo[1,5-a]pyridine

3-(thian-2-yl)imidazo[1,5-a]pyridine (PubChem CID 117139141) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 3-(thian-2-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(thian-2-yl)imidazo[1,5-a]pyridine
PubChem CID117139141
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name3-(thian-2-yl)imidazo[1,5-a]pyridine
SMILESc1ccn2c(C3CCCCS3)ncc2c1
InChIInChI=1S/C12H14N2S/c1-3-7-14-10(5-1)9-13-12(14)11-6-2-4-8-15-11/h1,3,5,7,9,11H,2,4,6,8H2
InChIKeyWZQSCEIPRLIZQU-UHFFFAOYSA-N
XLogP3.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-(thian-2-yl)imidazo[1,5-a]pyridine (CID 117139141) is 3-(thian-2-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(thian-2-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(thian-2-yl)imidazo[1,5-a]pyridine is c1ccn2c(C3CCCCS3)ncc2c1.
What is the InChIKey of 3-(thian-2-yl)imidazo[1,5-a]pyridine?
The InChIKey is WZQSCEIPRLIZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-7-14-10(5-1)9-13-12(14)11-6-2-4-8-15-11/h1,3,5,7,9,11H,2,4,6,8H2.
What are the key properties of 3-(thian-2-yl)imidazo[1,5-a]pyridine?
3-(thian-2-yl)imidazo[1,5-a]pyridine has a molecular weight of 218.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117139141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).