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

C24H15F6N3OS — CID 16745791

IUPAC3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3OS/c25-23(26,27)16-4-1-3-15(11-16)21(34)31-18-9-7-14(8-10-18)20-13-35-22(33-20)32-19-6-2-5-17(12-19)24(28,29)30/h1-13H,(H,31,34)(H,32,33)
InChIKeyGQHHIKPBSIGRQP-UHFFFAOYSA-N
MW507.46 g/mol
LogP7.84
Rot. Bonds5

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

3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 16745791) has the molecular formula C24H15F6N3OS and a molecular weight of 507.46 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID16745791
Molecular FormulaC24H15F6N3OS
Molecular Weight507.46 g/mol
Exact Mass507.08
IUPAC Name3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F6N3OS/c25-23(26,27)16-4-1-3-15(11-16)21(34)31-18-9-7-14(8-10-18)20-13-35-22(33-20)32-19-6-2-5-17(12-19)24(28,29)30/h1-13H,(H,31,34)(H,32,33)
InChIKeyGQHHIKPBSIGRQP-UHFFFAOYSA-N
XLogP7.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 16745791) is 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is GQHHIKPBSIGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F6N3OS/c25-23(26,27)16-4-1-3-15(11-16)21(34)31-18-9-7-14(8-10-18)20-13-35-22(33-20)32-19-6-2-5-17(12-19)24(28,29)30/h1-13H,(H,31,34)(H,32,33).
What are the key properties of 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide?
3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 507.46 g/mol, XLogP of 7.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 16745791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).