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

C18H11F6N3OS — CID 58958518

IUPAC2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-7-11(8-6-10)25-15(28)14-9-29-16(27-14)26-13-4-2-1-3-12(13)18(22,23)24/h1-9H,(H,25,28)(H,26,27)
InChIKeyVBPMRNTXPVQVQH-UHFFFAOYSA-N
MW431.36 g/mol
LogP6.18
Rot. Bonds4

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

2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 58958518) has the molecular formula C18H11F6N3OS and a molecular weight of 431.36 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID58958518
Molecular FormulaC18H11F6N3OS
Molecular Weight431.36 g/mol
Exact Mass431.05
IUPAC Name2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-7-11(8-6-10)25-15(28)14-9-29-16(27-14)26-13-4-2-1-3-12(13)18(22,23)24/h1-9H,(H,25,28)(H,26,27)
InChIKeyVBPMRNTXPVQVQH-UHFFFAOYSA-N
XLogP6.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-3-pyridinyl)amino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 58958517
N-[4-[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]phenyl]thiophene-2-carboxamide
CID 2727910
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
N-(4-fluorophenyl)-6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109336915
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067855
N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 42813501
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 58958518) is 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VBPMRNTXPVQVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6N3OS/c19-17(20,21)10-5-7-11(8-6-10)25-15(28)14-9-29-16(27-14)26-13-4-2-1-3-12(13)18(22,23)24/h1-9H,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58958518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).