N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide

C28H19FN2OS — CID 126057357

IUPACN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H19FN2OS/c29-24-17-15-21(16-18-24)25-26(22-9-5-2-6-10-22)33-28(30-25)31-27(32)23-13-11-20(12-14-23)19-7-3-1-4-8-19/h1-18H,(H,30,31,32)
InChIKeyDYNGXQYVWVWTKG-UHFFFAOYSA-N
MW450.54 g/mol
LogP7.54
Rot. Bonds5

About N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide (PubChem CID 126057357) has the molecular formula C28H19FN2OS and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
PubChem CID126057357
Molecular FormulaC28H19FN2OS
Molecular Weight450.54 g/mol
Exact Mass450.12
IUPAC NameN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H19FN2OS/c29-24-17-15-21(16-18-24)25-26(22-9-5-2-6-10-22)33-28(30-25)31-27(32)23-13-11-20(12-14-23)19-7-3-1-4-8-19/h1-18H,(H,30,31,32)
InChIKeyDYNGXQYVWVWTKG-UHFFFAOYSA-N
XLogP7.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 126060321
3-[[4-[4-(4-fluorophenyl)phenyl]-5-phenyl-1,3-thiazol-2-yl]amino]-2-methylpropanoic acid
CID 171750298
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide (CID 126057357) is N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide is O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide?
The InChIKey is DYNGXQYVWVWTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN2OS/c29-24-17-15-21(16-18-24)25-26(22-9-5-2-6-10-22)33-28(30-25)31-27(32)23-13-11-20(12-14-23)19-7-3-1-4-8-19/h1-18H,(H,30,31,32).
What are the key properties of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide?
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 7.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 126057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).