N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide

C17H11BrCl2N2O2S — CID 2066122

IUPACN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1Br
InChIInChI=1S/C17H11BrCl2N2O2S/c1-24-15-5-2-9(6-12(15)18)14-8-25-17(21-14)22-16(23)11-4-3-10(19)7-13(11)20/h2-8H,1H3,(H,21,22,23)
InChIKeyNTWQVCYZQOTAHG-UHFFFAOYSA-N
MW458.16 g/mol
LogP6.14
Rot. Bonds4

About N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide (PubChem CID 2066122) has the molecular formula C17H11BrCl2N2O2S and a molecular weight of 458.16 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
PubChem CID2066122
Molecular FormulaC17H11BrCl2N2O2S
Molecular Weight458.16 g/mol
Exact Mass455.91
IUPAC NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1Br
InChIInChI=1S/C17H11BrCl2N2O2S/c1-24-15-5-2-9(6-12(15)18)14-8-25-17(21-14)22-16(23)11-4-3-10(19)7-13(11)20/h2-8H,1H3,(H,21,22,23)
InChIKeyNTWQVCYZQOTAHG-UHFFFAOYSA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.16
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide 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

2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 1391807
5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915538
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide
CID 5230077
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 4659212
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide
CID 5093643

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide (CID 2066122) is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide is COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide?
The InChIKey is NTWQVCYZQOTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2S/c1-24-15-5-2-9(6-12(15)18)14-8-25-17(21-14)22-16(23)11-4-3-10(19)7-13(11)20/h2-8H,1H3,(H,21,22,23).
What are the key properties of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide?
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide has a molecular weight of 458.16 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 2066122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).