N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C18H16ClN3O2S — CID 135456412

IUPACN-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-11-5-4-6-12(9-11)20-18-22-17(24)15(25-18)10-16(23)21-14-8-3-2-7-13(14)19/h2-9,15H,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZMVIRHNZQDMDOK-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.90
Rot. Bonds4

About N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135456412) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135456412
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1cccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)c1
InChIInChI=1S/C18H16ClN3O2S/c1-11-5-4-6-12(9-11)20-18-22-17(24)15(25-18)10-16(23)21-14-8-3-2-7-13(14)19/h2-9,15H,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyZMVIRHNZQDMDOK-UHFFFAOYSA-N
XLogP3.90
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135456412) is N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(/N=C2/NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZMVIRHNZQDMDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-11-5-4-6-12(9-11)20-18-22-17(24)15(25-18)10-16(23)21-14-8-3-2-7-13(14)19/h2-9,15H,10H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 373.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135456412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).