3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid

C18H11F3N2O3S — CID 164608985

IUPAC3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H11F3N2O3S/c19-18(20,21)12-6-4-10(5-7-12)16-23-14(9-27-16)15(24)22-13-3-1-2-11(8-13)17(25)26/h1-9H,(H,22,24)(H,25,26)
InChIKeyMOGQFHVZOAUKJV-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.78
Rot. Bonds4

About 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid

3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid (PubChem CID 164608985) has the molecular formula C18H11F3N2O3S and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
PubChem CID164608985
Molecular FormulaC18H11F3N2O3S
Molecular Weight392.36 g/mol
Exact Mass392.04
IUPAC Name3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
InChIInChI=1S/C18H11F3N2O3S/c19-18(20,21)12-6-4-10(5-7-12)16-23-14(9-27-16)15(24)22-13-3-1-2-11(8-13)17(25)26/h1-9H,(H,22,24)(H,25,26)
InChIKeyMOGQFHVZOAUKJV-UHFFFAOYSA-N
XLogP4.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164379
2-(4-fluorophenyl)-N-[3-(methylsulfanylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 169152175
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5167161

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid (CID 164608985) is 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1.
What is the InChIKey of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The InChIKey is MOGQFHVZOAUKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3S/c19-18(20,21)12-6-4-10(5-7-12)16-23-14(9-27-16)15(24)22-13-3-1-2-11(8-13)17(25)26/h1-9H,(H,22,24)(H,25,26).
What are the key properties of 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid has a molecular weight of 392.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 164608985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).