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

C23H15ClF3N3OS — CID 16745798

IUPACN-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15ClF3N3OS/c24-17-6-10-19(11-7-17)29-22-30-20(13-32-22)14-4-8-18(9-5-14)28-21(31)15-2-1-3-16(12-15)23(25,26)27/h1-13H,(H,28,31)(H,29,30)
InChIKeyLJXMKOXLIUVPFN-UHFFFAOYSA-N
MW473.91 g/mol
LogP7.48
Rot. Bonds5

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

N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 16745798) has the molecular formula C23H15ClF3N3OS and a molecular weight of 473.91 g/mol. Its IUPAC name is N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID16745798
Molecular FormulaC23H15ClF3N3OS
Molecular Weight473.91 g/mol
Exact Mass473.06
IUPAC NameN-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H15ClF3N3OS/c24-17-6-10-19(11-7-17)29-22-30-20(13-32-22)14-4-8-18(9-5-14)28-21(31)15-2-1-3-16(12-15)23(25,26)27/h1-13H,(H,28,31)(H,29,30)
InChIKeyLJXMKOXLIUVPFN-UHFFFAOYSA-N
XLogP7.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.91
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 16745798) is N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LJXMKOXLIUVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3OS/c24-17-6-10-19(11-7-17)29-22-30-20(13-32-22)14-4-8-18(9-5-14)28-21(31)15-2-1-3-16(12-15)23(25,26)27/h1-13H,(H,28,31)(H,29,30).
What are the key properties of N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.91 g/mol, XLogP of 7.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16745798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).