N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide

C13H11BrN2O2S — CID 112706110

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H11BrN2O2S/c1-7-5-9(3-4-10(7)14)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18)
InChIKeyNBEZAVUYWPJRIY-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.67
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide (PubChem CID 112706110) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
PubChem CID112706110
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
SMILESCC(=O)c1csc(NC(=O)c2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H11BrN2O2S/c1-7-5-9(3-4-10(7)14)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18)
InChIKeyNBEZAVUYWPJRIY-UHFFFAOYSA-N
XLogP3.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide (CID 112706110) is N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide is CC(=O)c1csc(NC(=O)c2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide?
The InChIKey is NBEZAVUYWPJRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-7-5-9(3-4-10(7)14)12(18)16-13-15-11(6-19-13)8(2)17/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide has a molecular weight of 339.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide is sourced from PubChem (CID 112706110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).