4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C17H11BrCl2N2OS — CID 2276030

IUPAC4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11BrCl2N2OS/c1-9-15(11-4-7-13(19)14(20)8-11)21-17(24-9)22-16(23)10-2-5-12(18)6-3-10/h2-8H,1H3,(H,21,22,23)
InChIKeyIZQOCKCBJAZRAO-UHFFFAOYSA-N
MW442.17 g/mol
LogP6.44
Rot. Bonds3

About 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2276030) has the molecular formula C17H11BrCl2N2OS and a molecular weight of 442.17 g/mol. Its IUPAC name is 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2276030
Molecular FormulaC17H11BrCl2N2OS
Molecular Weight442.17 g/mol
Exact Mass439.92
IUPAC Name4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11BrCl2N2OS/c1-9-15(11-4-7-13(19)14(20)8-11)21-17(24-9)22-16(23)10-2-5-12(18)6-3-10/h2-8H,1H3,(H,21,22,23)
InChIKeyIZQOCKCBJAZRAO-UHFFFAOYSA-N
XLogP6.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.17
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]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-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 2276030) is 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is IZQOCKCBJAZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2OS/c1-9-15(11-4-7-13(19)14(20)8-11)21-17(24-9)22-16(23)10-2-5-12(18)6-3-10/h2-8H,1H3,(H,21,22,23).
What are the key properties of 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 442.17 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2276030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).