2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine

C7H6N2OS2 — CID 15035747

IUPAC2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCS(=O)c1nc2cccnc2s1
InChIInChI=1S/C7H6N2OS2/c1-12(10)7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
InChIKeyGRDKVKRPSCUXJS-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.43
Rot. Bonds1

About 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine

2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 15035747) has the molecular formula C7H6N2OS2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID15035747
Molecular FormulaC7H6N2OS2
Molecular Weight198.27 g/mol
Exact Mass197.99
IUPAC Name2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCS(=O)c1nc2cccnc2s1
InChIInChI=1S/C7H6N2OS2/c1-12(10)7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
InChIKeyGRDKVKRPSCUXJS-UHFFFAOYSA-N
XLogP1.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfinyl-[1,3]thiazolo[5,4-b]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 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine (CID 15035747) is 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine is CS(=O)c1nc2cccnc2s1.
What is the InChIKey of 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is GRDKVKRPSCUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS2/c1-12(10)7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3.
What are the key properties of 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine?
2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 198.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 15035747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).