N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide

C18H16BrN3OS — CID 3584332

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H16BrN3OS/c1-22(2)15-9-5-13(6-10-15)17(23)21-18-20-16(11-24-18)12-3-7-14(19)8-4-12/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFHMXTZARZZAHMO-UHFFFAOYSA-N
MW402.32 g/mol
LogP4.89
Rot. Bonds4

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide (PubChem CID 3584332) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
PubChem CID3584332
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C18H16BrN3OS/c1-22(2)15-9-5-13(6-10-15)17(23)21-18-20-16(11-24-18)12-3-7-14(19)8-4-12/h3-11H,1-2H3,(H,20,21,23)
InChIKeyFHMXTZARZZAHMO-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
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-methylsulfonylbenzamide
CID 41189986
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
2-(4-bromophenyl)-4-[[4-(dimethylamino)benzoyl]amino]thiophene-3-carboxylic acid
CID 58191570
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide (CID 3584332) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is FHMXTZARZZAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-22(2)15-9-5-13(6-10-15)17(23)21-18-20-16(11-24-18)12-3-7-14(19)8-4-12/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 402.32 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 3584332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).