N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

C17H11BrCl2N2OS2 — CID 3991551

IUPACN-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccccc1Br
InChIInChI=1S/C17H11BrCl2N2OS2/c18-12-3-1-2-4-14(12)21-16(23)9-25-17-22-15(8-24-17)11-6-5-10(19)7-13(11)20/h1-8H,9H2,(H,21,23)
InChIKeyVWWSDSFFOPAITJ-UHFFFAOYSA-N
MW474.23 g/mol
LogP6.61
Rot. Bonds5

About N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide

N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 3991551) has the molecular formula C17H11BrCl2N2OS2 and a molecular weight of 474.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID3991551
Molecular FormulaC17H11BrCl2N2OS2
Molecular Weight474.23 g/mol
Exact Mass471.89
IUPAC NameN-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccccc1Br
InChIInChI=1S/C17H11BrCl2N2OS2/c18-12-3-1-2-4-14(12)21-16(23)9-25-17-22-15(8-24-17)11-6-5-10(19)7-13(11)20/h1-8H,9H2,(H,21,23)
InChIKeyVWWSDSFFOPAITJ-UHFFFAOYSA-N
XLogP6.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.23
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide 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-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 4243160
4-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
CID 134065444
dimethyl 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 3967707
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4006854
N-(2,5-dichlorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5002916
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyrrolidin-1-ylphenyl)acetamide
CID 4537666
N-(2-benzoylphenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4256954
N-(2-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3678775
N-(2-bromophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737898
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
CID 2171104

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 3991551) is N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cs1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VWWSDSFFOPAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2OS2/c18-12-3-1-2-4-14(12)21-16(23)9-25-17-22-15(8-24-17)11-6-5-10(19)7-13(11)20/h1-8H,9H2,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 474.23 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3991551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).