3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione

C8H8N2O2S — CID 82399630

IUPAC3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
SMILESCc1nsc2c1C(=O)CN(C)C2=O
InChIInChI=1S/C8H8N2O2S/c1-4-6-5(11)3-10(2)8(12)7(6)13-9-4/h3H2,1-2H3
InChIKeyNIRXZVVUTAHZDT-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.72
Rot. Bonds

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

3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione (PubChem CID 82399630) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione.

Molecular Properties

Compound Name3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
PubChem CID82399630
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione
SMILESCc1nsc2c1C(=O)CN(C)C2=O
InChIInChI=1S/C8H8N2O2S/c1-4-6-5(11)3-10(2)8(12)7(6)13-9-4/h3H2,1-2H3
InChIKeyNIRXZVVUTAHZDT-UHFFFAOYSA-N
XLogP0.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-5-methyl-6,7-dihydro-[1,2]thiazolo[4,5-c]pyridin-4-one
CID 57678042
4-Amino-3,6-dimethyl-4,5-dihydro-[1,2]thiazolo[5,4-c]pyridin-7-one
CID 82398796
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
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 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The IUPAC name of 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione (CID 82399630) is 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione.
What is the SMILES notation for 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The canonical SMILES for 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione is Cc1nsc2c1C(=O)CN(C)C2=O.
What is the InChIKey of 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
The InChIKey is NIRXZVVUTAHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-4-6-5(11)3-10(2)8(12)7(6)13-9-4/h3H2,1-2H3.
What are the key properties of 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione?
3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione has a molecular weight of 196.23 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5H-[1,2]thiazolo[5,4-c]pyridine-4,7-dione is sourced from PubChem (CID 82399630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).