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

C23H16F3N3OS — CID 16745788

IUPACN-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1)c1ccccc1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-9-5-11-19(13-17)28-22-29-20(14-31-22)16-8-4-10-18(12-16)27-21(30)15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29)
InChIKeyVSMZQQACFYBHGZ-UHFFFAOYSA-N
MW439.46 g/mol
LogP6.82
Rot. Bonds5

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

N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 16745788) has the molecular formula C23H16F3N3OS and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID16745788
Molecular FormulaC23H16F3N3OS
Molecular Weight439.46 g/mol
Exact Mass439.10
IUPAC NameN-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1)c1ccccc1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-9-5-11-19(13-17)28-22-29-20(14-31-22)16-8-4-10-18(12-16)27-21(30)15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29)
InChIKeyVSMZQQACFYBHGZ-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-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 16745788) is N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1cccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is VSMZQQACFYBHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3OS/c24-23(25,26)17-9-5-11-19(13-17)28-22-29-20(14-31-22)16-8-4-10-18(12-16)27-21(30)15-6-2-1-3-7-15/h1-14H,(H,27,30)(H,28,29).
What are the key properties of N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]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-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 16745788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).