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

C13H10F3NOS — CID 115091833

IUPAC1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H10F3NOS/c1-8(18)6-9-7-17-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3
InChIKeyVGAQSTJTRRGZGR-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.96
Rot. Bonds3

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

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115091833) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
PubChem CID115091833
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H10F3NOS/c1-8(18)6-9-7-17-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3
InChIKeyVGAQSTJTRRGZGR-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one 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 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one (CID 115091833) is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is VGAQSTJTRRGZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-8(18)6-9-7-17-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7H,6H2,1H3.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one?
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 285.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115091833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).