N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

C17H10F4N2OS — CID 7948246

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F4N2OS/c18-13-7-3-10(4-8-13)14-9-25-16(22-14)23-15(24)11-1-5-12(6-2-11)17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyILPRVVVQPLJXMF-UHFFFAOYSA-N
MW366.34 g/mol
LogP5.22
Rot. Bonds3

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 7948246) has the molecular formula C17H10F4N2OS and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID7948246
Molecular FormulaC17H10F4N2OS
Molecular Weight366.34 g/mol
Exact Mass366.04
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F4N2OS/c18-13-7-3-10(4-8-13)14-9-25-16(22-14)23-15(24)11-1-5-12(6-2-11)17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyILPRVVVQPLJXMF-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
4-[cyclopentyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 18584062
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (CID 7948246) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is ILPRVVVQPLJXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2OS/c18-13-7-3-10(4-8-13)14-9-25-16(22-14)23-15(24)11-1-5-12(6-2-11)17(19,20)21/h1-9H,(H,22,23,24).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).