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

C6H2ClN3O2S — CID 44630684

IUPAC7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2c(Cl)ncnc12
InChIInChI=1S/C6H2ClN3O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12)
InChIKeyKTFSJRMLZRRXIG-UHFFFAOYSA-N
MW215.62 g/mol
LogP1.44
Rot. Bonds1

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

7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 44630684) has the molecular formula C6H2ClN3O2S and a molecular weight of 215.62 g/mol. Its IUPAC name is 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID44630684
Molecular FormulaC6H2ClN3O2S
Molecular Weight215.62 g/mol
Exact Mass214.96
IUPAC Name7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nsc2c(Cl)ncnc12
InChIInChI=1S/C6H2ClN3O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12)
InChIKeyKTFSJRMLZRRXIG-UHFFFAOYSA-N
XLogP1.44
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-[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-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 44630684) is 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is O=C(O)c1nsc2c(Cl)ncnc12.
What is the InChIKey of 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is KTFSJRMLZRRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClN3O2S/c7-5-4-2(8-1-9-5)3(6(11)12)10-13-4/h1H,(H,11,12).
What are the key properties of 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid?
7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 215.62 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 44630684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).