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

C22H15BrN4OS — CID 136771490

IUPACN-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)s1)c1ccccc1
InChIInChI=1S/C22H15BrN4OS/c23-17-11-13-18(14-12-17)26-27-21-19(15-7-3-1-4-8-15)24-22(29-21)25-20(28)16-9-5-2-6-10-16/h1-14H,(H,24,25,28)/b27-26+
InChIKeyQUHNVJFQESKFEI-CYYJNZCTSA-N
MW463.36 g/mol
LogP7.24
Rot. Bonds5

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

N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide (PubChem CID 136771490) has the molecular formula C22H15BrN4OS and a molecular weight of 463.36 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide
PubChem CID136771490
Molecular FormulaC22H15BrN4OS
Molecular Weight463.36 g/mol
Exact Mass462.01
IUPAC NameN-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)s1)c1ccccc1
InChIInChI=1S/C22H15BrN4OS/c23-17-11-13-18(14-12-17)26-27-21-19(15-7-3-1-4-8-15)24-22(29-21)25-20(28)16-9-5-2-6-10-16/h1-14H,(H,24,25,28)/b27-26+
InChIKeyQUHNVJFQESKFEI-CYYJNZCTSA-N
XLogP7.24
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.36
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
CID 7920269
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
4-bromo-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39040541
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide (CID 136771490) is N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)s1)c1ccccc1.
What is the InChIKey of N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is QUHNVJFQESKFEI-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H15BrN4OS/c23-17-11-13-18(14-12-17)26-27-21-19(15-7-3-1-4-8-15)24-22(29-21)25-20(28)16-9-5-2-6-10-16/h1-14H,(H,24,25,28)/b27-26+.
What are the key properties of N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide?
N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 463.36 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 136771490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).