3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

C11H7F3N2OS — CID 23465073

IUPAC3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)5-18-16-9/h1-5H,(H2,15,17)
InChIKeyATEDDOLUQIOTPR-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.93
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 23465073) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
PubChem CID23465073
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)5-18-16-9/h1-5H,(H2,15,17)
InChIKeyATEDDOLUQIOTPR-UHFFFAOYSA-N
XLogP2.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenylthiadiazole-5-carboxamide
CID 2804329
4-Amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638907
3-(3-Trifluoromethylphenyl)-4-amino-5-isothiazolecarboxamide
CID 13073260
3-Chloro-5-(m-trifluoromethylphenyl)-4-isothiazolecarboxamide
CID 13139557
alpha,alpha,alpha-Trifluoro-m-tolyl-4-isothiazolecarbonyl chloride
CID 23465058
5-Amino-3-(4-fluorophenyl)isothiazole-4-carboxamide
CID 71258656
3-(alpha,alpha,alpha-Trifluoro-m-Tolyl)-4-Isothiazolecarboxylic Acid, Isopropyl Amide
CID 86736808
3-[4-(Trifluoromethyl)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477201
1-[3-(4-Ethylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]propan-1-one
CID 134444726
7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
CID 135549336
5-Fluoro-3-phenyl-1,2-thiazole-4-carboxamide
CID 143383490
5-Amino-3-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,2-thiazole-4-carboxamide
CID 149553827

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (CID 23465073) is 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is NC(=O)c1csnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is ATEDDOLUQIOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)9-8(10(15)17)5-18-16-9/h1-5H,(H2,15,17).
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 23465073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).