2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione

C7H6N2O2S — CID 14006296

IUPAC2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione
SMILESCC1Sc2ccnc(=O)n2C1=O
InChIInChI=1S/C7H6N2O2S/c1-4-6(10)9-5(12-4)2-3-8-7(9)11/h2-4H,1H3
InChIKeyWZDOPLCVGIXPRX-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.38
Rot. Bonds

About 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione

2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione (PubChem CID 14006296) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione.

Molecular Properties

Compound Name2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione
PubChem CID14006296
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione
SMILESCC1Sc2ccnc(=O)n2C1=O
InChIInChI=1S/C7H6N2O2S/c1-4-6(10)9-5(12-4)2-3-8-7(9)11/h2-4H,1H3
InChIKeyWZDOPLCVGIXPRX-UHFFFAOYSA-N
XLogP0.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione?
The IUPAC name of 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione (CID 14006296) is 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione.
What is the SMILES notation for 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione?
The canonical SMILES for 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione is CC1Sc2ccnc(=O)n2C1=O.
What is the InChIKey of 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione?
The InChIKey is WZDOPLCVGIXPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c1-4-6(10)9-5(12-4)2-3-8-7(9)11/h2-4H,1H3.
What are the key properties of 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione?
2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione has a molecular weight of 182.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]thiazolo[3,2-c]pyrimidine-3,5-dione is sourced from PubChem (CID 14006296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).