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

C22H14BrFN2OS — CID 126060473

IUPAC3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc(Br)c1
InChIInChI=1S/C22H14BrFN2OS/c23-17-8-4-7-16(13-17)21(27)26-22-25-19(14-9-11-18(24)12-10-14)20(28-22)15-5-2-1-3-6-15/h1-13H,(H,25,26,27)
InChIKeyMCZUSKWRLFVAJE-UHFFFAOYSA-N
MW453.34 g/mol
LogP6.63
Rot. Bonds4

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

3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 126060473) has the molecular formula C22H14BrFN2OS and a molecular weight of 453.34 g/mol. Its IUPAC name is 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID126060473
Molecular FormulaC22H14BrFN2OS
Molecular Weight453.34 g/mol
Exact Mass452.00
IUPAC Name3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc(Br)c1
InChIInChI=1S/C22H14BrFN2OS/c23-17-8-4-7-16(13-17)21(27)26-22-25-19(14-9-11-18(24)12-10-14)20(28-22)15-5-2-1-3-6-15/h1-13H,(H,25,26,27)
InChIKeyMCZUSKWRLFVAJE-UHFFFAOYSA-N
XLogP6.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912318
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
3-chloro-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22911911
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 126060321
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
azane;dichloroplatinum;N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide
CID 91938039
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide (CID 126060473) is 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is MCZUSKWRLFVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN2OS/c23-17-8-4-7-16(13-17)21(27)26-22-25-19(14-9-11-18(24)12-10-14)20(28-22)15-5-2-1-3-6-15/h1-13H,(H,25,26,27).
What are the key properties of 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide?
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 453.34 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 126060473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).