2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide

C16H13ClN2OS2 — CID 4045804

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C16H13ClN2OS2/c1-10-6-7-12(11(17)8-10)18-15(20)9-21-16-19-13-4-2-3-5-14(13)22-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyJLZJGCRCTPHTPH-UHFFFAOYSA-N
MW348.88 g/mol
LogP4.99
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 4045804) has the molecular formula C16H13ClN2OS2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID4045804
Molecular FormulaC16H13ClN2OS2
Molecular Weight348.88 g/mol
Exact Mass348.02
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C16H13ClN2OS2/c1-10-6-7-12(11(17)8-10)18-15(20)9-21-16-19-13-4-2-3-5-14(13)22-16/h2-8H,9H2,1H3,(H,18,20)
InChIKeyJLZJGCRCTPHTPH-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)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-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 4177656
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide
CID 2357853
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 17386379
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2706598
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
N-(2-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532400
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 1026672
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 4912372
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 4224169

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide (CID 4045804) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3s2)c(Cl)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is JLZJGCRCTPHTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS2/c1-10-6-7-12(11(17)8-10)18-15(20)9-21-16-19-13-4-2-3-5-14(13)22-16/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 348.88 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 4045804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).