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

C13H10F3NOS — CID 79824667

IUPAC1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1nccs1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)10-3-1-2-9(6-10)7-11(18)8-12-17-4-5-19-12/h1-6H,7-8H2
InChIKeyFMYUAXAQADOTHN-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.52
Rot. Bonds4

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

1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 79824667) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID79824667
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1nccs1
InChIInChI=1S/C13H10F3NOS/c14-13(15,16)10-3-1-2-9(6-10)7-11(18)8-12-17-4-5-19-12/h1-6H,7-8H2
InChIKeyFMYUAXAQADOTHN-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]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

Related Compounds

1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 115786406
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 79824667) is 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1cccc(C(F)(F)F)c1)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is FMYUAXAQADOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c14-13(15,16)10-3-1-2-9(6-10)7-11(18)8-12-17-4-5-19-12/h1-6H,7-8H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 285.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 79824667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).