2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

C10H8F3NOS — CID 15717196

IUPAC2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESOC1(C(F)(F)F)CSC(c2ccccc2)=N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)9(15)6-16-8(14-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyQGVGHWUAZFSNRH-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.43
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol

2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (PubChem CID 15717196) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
PubChem CID15717196
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
SMILESOC1(C(F)(F)F)CSC(c2ccccc2)=N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)9(15)6-16-8(14-9)7-4-2-1-3-5-7/h1-5,15H,6H2
InChIKeyQGVGHWUAZFSNRH-UHFFFAOYSA-N
XLogP2.43
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol (CID 15717196) is 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is OC1(C(F)(F)F)CSC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
The InChIKey is QGVGHWUAZFSNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)9(15)6-16-8(14-9)7-4-2-1-3-5-7/h1-5,15H,6H2.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol?
2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol has a molecular weight of 247.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol is sourced from PubChem (CID 15717196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).