3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one

C7H8N2OS — CID 96632359

IUPAC3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nsc2c1C(=O)CNC2
InChIInChI=1S/C7H8N2OS/c1-4-7-5(10)2-8-3-6(7)11-9-4/h8H,2-3H2,1H3
InChIKeyOAPQPXVXWUMZLB-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.74
Rot. Bonds

About 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one

3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one (PubChem CID 96632359) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
PubChem CID96632359
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
SMILESCc1nsc2c1C(=O)CNC2
InChIInChI=1S/C7H8N2OS/c1-4-7-5(10)2-8-3-6(7)11-9-4/h8H,2-3H2,1H3
InChIKeyOAPQPXVXWUMZLB-UHFFFAOYSA-N
XLogP0.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 82399630
3-ethyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
CID 82407683
3-Methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 96628022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one (CID 96632359) is 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one is Cc1nsc2c1C(=O)CNC2.
What is the InChIKey of 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is OAPQPXVXWUMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-4-7-5(10)2-8-3-6(7)11-9-4/h8H,2-3H2,1H3.
What are the key properties of 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one?
3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 168.22 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 96632359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).