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

C5Cl3N3S — CID 14505754

IUPAC2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1nc(Cl)c2sc(Cl)nc2n1
InChIInChI=1S/C5Cl3N3S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1
InChIKeyHIWGATGOXMCBBI-UHFFFAOYSA-N
MW240.50 g/mol
LogP3.05
Rot. Bonds

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

2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 14505754) has the molecular formula C5Cl3N3S and a molecular weight of 240.50 g/mol. Its IUPAC name is 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID14505754
Molecular FormulaC5Cl3N3S
Molecular Weight240.50 g/mol
Exact Mass238.89
IUPAC Name2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine
SMILESClc1nc(Cl)c2sc(Cl)nc2n1
InChIInChI=1S/C5Cl3N3S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1
InChIKeyHIWGATGOXMCBBI-UHFFFAOYSA-N
XLogP3.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine (CID 14505754) is 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine is Clc1nc(Cl)c2sc(Cl)nc2n1.
What is the InChIKey of 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is HIWGATGOXMCBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3N3S/c6-2-1-3(10-4(7)9-2)11-5(8)12-1.
What are the key properties of 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine?
2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 240.50 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trichloro-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 14505754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).