N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide

C19H17BrN2O2S — CID 121094364

IUPACN-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)n1
InChIInChI=1S/C19H17BrN2O2S/c1-12-9-15(20)5-8-17(12)22-19(23)14-3-6-16(7-4-14)24-10-18-21-13(2)11-25-18/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyUJTJGIKHMDHKIM-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.35
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide

N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (PubChem CID 121094364) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
PubChem CID121094364
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
SMILESCc1csc(COc2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)n1
InChIInChI=1S/C19H17BrN2O2S/c1-12-9-15(20)5-8-17(12)22-19(23)14-3-6-16(7-4-14)24-10-18-21-13(2)11-25-18/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyUJTJGIKHMDHKIM-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide 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-(3-fluorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094316
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094418
ethyl 2-[2-[[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 121094373
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
methyl 2-[4-[(4-bromobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916233
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
N-[(2,6-difluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094385

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide (CID 121094364) is N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is Cc1csc(COc2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
The InChIKey is UJTJGIKHMDHKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-12-9-15(20)5-8-17(12)22-19(23)14-3-6-16(7-4-14)24-10-18-21-13(2)11-25-18/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide?
N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide has a molecular weight of 417.33 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 121094364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).