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

C6H3Cl2N3S — CID 58234952

IUPAC5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCc1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C6H3Cl2N3S/c1-2-9-5-3(12-2)4(7)10-6(8)11-5/h1H3
InChIKeyOOZLZUWRNQNRLY-UHFFFAOYSA-N
MW220.08 g/mol
LogP2.70
Rot. Bonds

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

5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 58234952) has the molecular formula C6H3Cl2N3S and a molecular weight of 220.08 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID58234952
Molecular FormulaC6H3Cl2N3S
Molecular Weight220.08 g/mol
Exact Mass218.94
IUPAC Name5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine
SMILESCc1nc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C6H3Cl2N3S/c1-2-9-5-3(12-2)4(7)10-6(8)11-5/h1H3
InChIKeyOOZLZUWRNQNRLY-UHFFFAOYSA-N
XLogP2.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine (CID 58234952) is 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine is Cc1nc2nc(Cl)nc(Cl)c2s1.
What is the InChIKey of 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is OOZLZUWRNQNRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2N3S/c1-2-9-5-3(12-2)4(7)10-6(8)11-5/h1H3.
What are the key properties of 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine?
5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 220.08 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 58234952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).