2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

C6H2F3N3OS — CID 2328534

IUPAC2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(C(F)(F)F)nc2sccn12
InChIInChI=1S/C6H2F3N3OS/c7-6(8,9)3-10-4(13)12-1-2-14-5(12)11-3/h1-2H
InChIKeyKOWUQEMXYPCLBE-UHFFFAOYSA-N
MW221.16 g/mol
LogP1.17
Rot. Bonds

About 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one

2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one (PubChem CID 2328534) has the molecular formula C6H2F3N3OS and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
PubChem CID2328534
Molecular FormulaC6H2F3N3OS
Molecular Weight221.16 g/mol
Exact Mass220.99
IUPAC Name2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
SMILESO=c1nc(C(F)(F)F)nc2sccn12
InChIInChI=1S/C6H2F3N3OS/c7-6(8,9)3-10-4(13)12-1-2-14-5(12)11-3/h1-2H
InChIKeyKOWUQEMXYPCLBE-UHFFFAOYSA-N
XLogP1.17
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one (CID 2328534) is 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one is O=c1nc(C(F)(F)F)nc2sccn12.
What is the InChIKey of 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
The InChIKey is KOWUQEMXYPCLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3N3OS/c7-6(8,9)3-10-4(13)12-1-2-14-5(12)11-3/h1-2H.
What are the key properties of 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one?
2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one has a molecular weight of 221.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 2328534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).