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

C6H4ClN3S — CID 83828889

IUPAC5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)nc2scnc12
InChIInChI=1S/C6H4ClN3S/c1-3-4-5(11-2-8-4)10-6(7)9-3/h2H,1H3
InChIKeyRQLRQLRJVGGLEX-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.05
Rot. Bonds

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

5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 83828889) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID83828889
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)nc2scnc12
InChIInChI=1S/C6H4ClN3S/c1-3-4-5(11-2-8-4)10-6(7)9-3/h2H,1H3
InChIKeyRQLRQLRJVGGLEX-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine (CID 83828889) is 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is Cc1nc(Cl)nc2scnc12.
What is the InChIKey of 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is RQLRQLRJVGGLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c1-3-4-5(11-2-8-4)10-6(7)9-3/h2H,1H3.
What are the key properties of 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine?
5-chloro-7-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 5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 83828889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).