2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol

C13H12F3NOS — CID 22647492

IUPAC2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H12F3NOS/c1-12(2,18)10-7-17-11(19-10)8-3-5-9(6-4-8)13(14,15)16/h3-7,18H,1-2H3
InChIKeyYZYBWUJVBLFVGX-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.06
Rot. Bonds2

About 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol

2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 22647492) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID22647492
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H12F3NOS/c1-12(2,18)10-7-17-11(19-10)8-3-5-9(6-4-8)13(14,15)16/h3-7,18H,1-2H3
InChIKeyYZYBWUJVBLFVGX-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol (CID 22647492) is 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol is CC(C)(O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YZYBWUJVBLFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-12(2,18)10-7-17-11(19-10)8-3-5-9(6-4-8)13(14,15)16/h3-7,18H,1-2H3.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 287.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 22647492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).