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

C23H16F3N3OS — CID 16745796

IUPACN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-6-4-5-16(13-17)21(30)27-19-11-9-15(10-12-19)20-14-31-22(29-20)28-18-7-2-1-3-8-18/h1-14H,(H,27,30)(H,28,29)
InChIKeyPHEZHENVASWZKN-UHFFFAOYSA-N
MW439.46 g/mol
LogP6.82
Rot. Bonds5

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

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 16745796) has the molecular formula C23H16F3N3OS and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID16745796
Molecular FormulaC23H16F3N3OS
Molecular Weight439.46 g/mol
Exact Mass439.10
IUPAC NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-6-4-5-16(13-17)21(30)27-19-11-9-15(10-12-19)20-14-31-22(29-20)28-18-7-2-1-3-8-18/h1-14H,(H,27,30)(H,28,29)
InChIKeyPHEZHENVASWZKN-UHFFFAOYSA-N
XLogP6.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 16745796) is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PHEZHENVASWZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3OS/c24-23(25,26)17-6-4-5-16(13-17)21(30)27-19-11-9-15(10-12-19)20-14-31-22(29-20)28-18-7-2-1-3-8-18/h1-14H,(H,27,30)(H,28,29).
What are the key properties of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 439.46 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16745796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).