N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide

C16H12BrN3OS — CID 28861346

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrN3OS/c17-12-5-1-11(2-6-12)15(21)20-16-19-14(9-22-16)10-3-7-13(18)8-4-10/h1-9H,18H2,(H,19,20,21)
InChIKeyFRLHIPKQZGODMK-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.41
Rot. Bonds3

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide (PubChem CID 28861346) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
PubChem CID28861346
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H12BrN3OS/c17-12-5-1-11(2-6-12)15(21)20-16-19-14(9-22-16)10-3-7-13(18)8-4-10/h1-9H,18H2,(H,19,20,21)
InChIKeyFRLHIPKQZGODMK-UHFFFAOYSA-N
XLogP4.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 3584332
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide (CID 28861346) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide is Nc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide?
The InChIKey is FRLHIPKQZGODMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-12-5-1-11(2-6-12)15(21)20-16-19-14(9-22-16)10-3-7-13(18)8-4-10/h1-9H,18H2,(H,19,20,21).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide has a molecular weight of 374.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide is sourced from PubChem (CID 28861346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).