3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione

C7H6N2O2S — CID 96628022

IUPAC3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
SMILESCc1nsc2c1C(=O)CNC2=O
InChIInChI=1S/C7H6N2O2S/c1-3-5-4(10)2-8-7(11)6(5)12-9-3/h2H2,1H3,(H,8,11)
InChIKeyPNFXOMHVEXIING-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.38
Rot. Bonds

About 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione

3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione (PubChem CID 96628022) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
PubChem CID96628022
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
SMILESCc1nsc2c1C(=O)CNC2=O
InChIInChI=1S/C7H6N2O2S/c1-3-5-4(10)2-8-7(11)6(5)12-9-3/h2H2,1H3,(H,8,11)
InChIKeyPNFXOMHVEXIING-UHFFFAOYSA-N
XLogP0.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione
CID 91288898
N-methyl-4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridine-3-carboxamide
CID 139310892
4-Amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82398796
3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
CID 82399630
4-amino-3-methyl-5,6-dihydro-4H-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82407132
3-ethyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
CID 82407683
3-methyl-6,7-dihydro-5H-[1,2]thiazolo[5,4-c]pyridin-4-one
CID 96632359

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The IUPAC name of 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione (CID 96628022) is 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione.
What is the SMILES notation for 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The canonical SMILES for 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione is Cc1nsc2c1C(=O)CNC2=O.
What is the InChIKey of 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The InChIKey is PNFXOMHVEXIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-3-5-4(10)2-8-7(11)6(5)12-9-3/h2H2,1H3,(H,8,11).
What are the key properties of 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione has a molecular weight of 182.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-[1,2]thiazolo[5,4-c]pyridine-4,7-dione is sourced from PubChem (CID 96628022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).