3H-[1,3]thiazolo[4,5-c]pyridin-2-one

C6H4N2OS — CID 53439246

IUPAC3H-[1,3]thiazolo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2s1
InChIInChI=1S/C6H4N2OS/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9)
InChIKeyJHQMMHCYMPQTRT-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.98
Rot. Bonds

About 3H-[1,3]thiazolo[4,5-c]pyridin-2-one

3H-[1,3]thiazolo[4,5-c]pyridin-2-one (PubChem CID 53439246) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 3H-[1,3]thiazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3H-[1,3]thiazolo[4,5-c]pyridin-2-one
PubChem CID53439246
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name3H-[1,3]thiazolo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnccc2s1
InChIInChI=1S/C6H4N2OS/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9)
InChIKeyJHQMMHCYMPQTRT-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3H-[1,3]thiazolo[4,5-c]pyridin-2-one 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 3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The IUPAC name of 3H-[1,3]thiazolo[4,5-c]pyridin-2-one (CID 53439246) is 3H-[1,3]thiazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The canonical SMILES for 3H-[1,3]thiazolo[4,5-c]pyridin-2-one is O=c1[nH]c2cnccc2s1.
What is the InChIKey of 3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The InChIKey is JHQMMHCYMPQTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-6-8-4-3-7-2-1-5(4)10-6/h1-3H,(H,8,9).
What are the key properties of 3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
3H-[1,3]thiazolo[4,5-c]pyridin-2-one has a molecular weight of 152.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]thiazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 53439246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).