7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine

C6HClF3N3S — CID 178127389

IUPAC7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESFC(F)(F)c1nc2ncnc(Cl)c2s1
InChIInChI=1S/C6HClF3N3S/c7-3-2-4(12-1-11-3)13-5(14-2)6(8,9)10/h1H
InChIKeyXLARFKPKYRLWAF-UHFFFAOYSA-N
MW239.61 g/mol
LogP2.76
Rot. Bonds

About 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine

7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine (PubChem CID 178127389) has the molecular formula C6HClF3N3S and a molecular weight of 239.61 g/mol. Its IUPAC name is 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine
PubChem CID178127389
Molecular FormulaC6HClF3N3S
Molecular Weight239.61 g/mol
Exact Mass238.95
IUPAC Name7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine
SMILESFC(F)(F)c1nc2ncnc(Cl)c2s1
InChIInChI=1S/C6HClF3N3S/c7-3-2-4(12-1-11-3)13-5(14-2)6(8,9)10/h1H
InChIKeyXLARFKPKYRLWAF-UHFFFAOYSA-N
XLogP2.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine (CID 178127389) is 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine is FC(F)(F)c1nc2ncnc(Cl)c2s1.
What is the InChIKey of 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine?
The InChIKey is XLARFKPKYRLWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF3N3S/c7-3-2-4(12-1-11-3)13-5(14-2)6(8,9)10/h1H.
What are the key properties of 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine?
7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine has a molecular weight of 239.61 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 178127389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).