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

C11H7F3N2OS — CID 110696023

IUPACN-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-1-3-8(4-2-7)16-9(17)10-15-5-6-18-10/h1-6H,(H,16,17)
InChIKeyUSCGHEUPYGCFEC-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.41
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 110696023) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID110696023
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-1-3-8(4-2-7)16-9(17)10-15-5-6-18-10/h1-6H,(H,16,17)
InChIKeyUSCGHEUPYGCFEC-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 10038071
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
N-[1-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-5-yl]ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 25153452
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385100
N-(2-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 110467924
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-chloro-1-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122455205

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide (CID 110696023) is N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is USCGHEUPYGCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-1-3-8(4-2-7)16-9(17)10-15-5-6-18-10/h1-6H,(H,16,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).