1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone

C11H6F3NOS — CID 10038071

IUPAC1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H
InChIKeyBORIWFQCOOGTGH-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.39
Rot. Bonds2

About 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone

1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 10038071) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID10038071
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H
InChIKeyBORIWFQCOOGTGH-UHFFFAOYSA-N
XLogP3.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 110696023
(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 55006814
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
phenyl(1,3-thiazol-2-yl)methanone;(NE)-N-[phenyl(1,3-thiazol-2-yl)methylidene]hydroxylamine
CID 172917333
pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
CID 161391832
CID 161391832
[2-(aminomethyl)-4-pyridinyl]-[4-(trifluoromethyl)phenyl]methanone
CID 116601926
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
[2-hydroxy-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627441
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone (CID 10038071) is 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1nccs1.
What is the InChIKey of 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BORIWFQCOOGTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)8-3-1-7(2-4-8)9(16)10-15-5-6-17-10/h1-6H.
What are the key properties of 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone?
1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 257.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 10038071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).