1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol

C12H16N2OS — CID 511749

IUPAC1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol
SMILESCc1cccc2ncc(CSCC(C)O)n12
InChIInChI=1S/C12H16N2OS/c1-9-4-3-5-12-13-6-11(14(9)12)8-16-7-10(2)15/h3-6,10,15H,7-8H2,1-2H3
InChIKeyKXPRDIURWPGDOT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.26
Rot. Bonds4

About 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol

1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol (PubChem CID 511749) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol
PubChem CID511749
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol
SMILESCc1cccc2ncc(CSCC(C)O)n12
InChIInChI=1S/C12H16N2OS/c1-9-4-3-5-12-13-6-11(14(9)12)8-16-7-10(2)15/h3-6,10,15H,7-8H2,1-2H3
InChIKeyKXPRDIURWPGDOT-UHFFFAOYSA-N
XLogP2.26
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol 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 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol (CID 511749) is 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol is Cc1cccc2ncc(CSCC(C)O)n12.
What is the InChIKey of 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol?
The InChIKey is KXPRDIURWPGDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-4-3-5-12-13-6-11(14(9)12)8-16-7-10(2)15/h3-6,10,15H,7-8H2,1-2H3.
What are the key properties of 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol?
1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 511749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).