7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine

C14H18N2S — CID 117134556

IUPAC7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CC3CCCCS3)nc2c1
InChIInChI=1S/C14H18N2S/c1-11-5-6-16-10-12(15-14(16)8-11)9-13-4-2-3-7-17-13/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyUSPLBXLXNZCBHU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.47
Rot. Bonds2

About 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine

7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 117134556) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID117134556
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(CC3CCCCS3)nc2c1
InChIInChI=1S/C14H18N2S/c1-11-5-6-16-10-12(15-14(16)8-11)9-13-4-2-3-7-17-13/h5-6,8,10,13H,2-4,7,9H2,1H3
InChIKeyUSPLBXLXNZCBHU-UHFFFAOYSA-N
XLogP3.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine (CID 117134556) is 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine is Cc1ccn2cc(CC3CCCCS3)nc2c1.
What is the InChIKey of 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is USPLBXLXNZCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-6-16-10-12(15-14(16)8-11)9-13-4-2-3-7-17-13/h5-6,8,10,13H,2-4,7,9H2,1H3.
What are the key properties of 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine?
7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 246.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(thian-2-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 117134556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).