7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

C6H4ClN3S — CID 591737

IUPAC7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C6H4ClN3S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3
InChIKeyYRFFHMTVGVHVMB-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.05
Rot. Bonds

About 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine

7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 591737) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID591737
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2ncsc2n1
InChIInChI=1S/C6H4ClN3S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3
InChIKeyYRFFHMTVGVHVMB-UHFFFAOYSA-N
XLogP2.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine 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-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 591737) is 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine is Cc1nc(Cl)c2ncsc2n1.
What is the InChIKey of 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is YRFFHMTVGVHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c1-3-9-5(7)4-6(10-3)11-2-8-4/h2H,1H3.
What are the key properties of 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 185.64 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 591737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).