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

C13H9ClF3NOS — CID 153182995

IUPAC1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)4-12-18-11(6-20-12)8-2-3-10(14)9(5-8)13(15,16)17/h2-3,5-6H,4H2,1H3
InChIKeyWGNNGXYFZZBUDG-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.61
Rot. Bonds3

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

1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 153182995) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID153182995
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC Name1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7(19)4-12-18-11(6-20-12)8-2-3-10(14)9(5-8)13(15,16)17/h2-3,5-6H,4H2,1H3
InChIKeyWGNNGXYFZZBUDG-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one (CID 153182995) is 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(-c2ccc(Cl)c(C(F)(F)F)c2)cs1.
What is the InChIKey of 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is WGNNGXYFZZBUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-7(19)4-12-18-11(6-20-12)8-2-3-10(14)9(5-8)13(15,16)17/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one?
1-[4-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 153182995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).