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

C13H9ClF3NOS — CID 149198428

IUPAC1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2cc(Cl)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)2-12-18-11(6-20-12)8-3-9(13(15,16)17)5-10(14)4-8/h3-6H,2H2,1H3
InChIKeyXEFGADOOUDDOBC-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.61
Rot. Bonds3

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

1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 149198428) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID149198428
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC Name1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2cc(Cl)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)2-12-18-11(6-20-12)8-3-9(13(15,16)17)5-10(14)4-8/h3-6H,2H2,1H3
InChIKeyXEFGADOOUDDOBC-UHFFFAOYSA-N
XLogP4.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
1-(4-chloro-1,3-thiazol-2-yl)propan-2-one
CID 147334896
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
1-(5-chloropyrazin-2-yl)-2-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanone
CID 148918246
1-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966426
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
1-[[4-(3-chloro-5-methylphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127542
ethyl 1-[[4-[3-hydroxy-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939232
ethyl 1-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 66939534
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (CID 149198428) is 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(-c2cc(Cl)cc(C(F)(F)F)c2)cs1.
What is the InChIKey of 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is XEFGADOOUDDOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-7(19)2-12-18-11(6-20-12)8-3-9(13(15,16)17)5-10(14)4-8/h3-6H,2H2,1H3.
What are the key properties of 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 319.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 149198428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).