7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

C7H5N3O2S — CID 82373209

IUPAC7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCc1ncnc2c(C(=O)O)nsc12
InChIInChI=1S/C7H5N3O2S/c1-3-6-4(9-2-8-3)5(7(11)12)10-13-6/h2H,1H3,(H,11,12)
InChIKeyVZXWZBYGLOLLKQ-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.09
Rot. Bonds1

About 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid

7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 82373209) has the molecular formula C7H5N3O2S and a molecular weight of 195.20 g/mol. Its IUPAC name is 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID82373209
Molecular FormulaC7H5N3O2S
Molecular Weight195.20 g/mol
Exact Mass195.01
IUPAC Name7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCc1ncnc2c(C(=O)O)nsc12
InChIInChI=1S/C7H5N3O2S/c1-3-6-4(9-2-8-3)5(7(11)12)10-13-6/h2H,1H3,(H,11,12)
InChIKeyVZXWZBYGLOLLKQ-UHFFFAOYSA-N
XLogP1.09
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid 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 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 82373209) is 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is Cc1ncnc2c(C(=O)O)nsc12.
What is the InChIKey of 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is VZXWZBYGLOLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S/c1-3-6-4(9-2-8-3)5(7(11)12)10-13-6/h2H,1H3,(H,11,12).
What are the key properties of 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82373209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).