2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide

C17H14Cl3N3OS — CID 3094981

IUPAC2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C17H14Cl3N3OS/c1-10-9-23(16(24)21-11-6-7-12(18)14(20)8-11)17(25-10)22-15-5-3-2-4-13(15)19/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-
InChIKeyUWLASOSIFLFLDH-XLNRJJMWSA-N
MW414.75 g/mol
LogP6.30
Rot. Bonds2

About 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide

2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide (PubChem CID 3094981) has the molecular formula C17H14Cl3N3OS and a molecular weight of 414.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide
PubChem CID3094981
Molecular FormulaC17H14Cl3N3OS
Molecular Weight414.75 g/mol
Exact Mass412.99
IUPAC Name2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C17H14Cl3N3OS/c1-10-9-23(16(24)21-11-6-7-12(18)14(20)8-11)17(25-10)22-15-5-3-2-4-13(15)19/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-
InChIKeyUWLASOSIFLFLDH-XLNRJJMWSA-N
XLogP6.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide 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

(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116150
(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide
CID 1119068
(5R)-2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116154
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3,4-dichlorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17486899
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
(2R)-6-[2-(2-chlorophenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 40855992

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide (CID 3094981) is 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide is CC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccccc2Cl)S1.
What is the InChIKey of 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is UWLASOSIFLFLDH-XLNRJJMWSA-N. The full InChI is InChI=1S/C17H14Cl3N3OS/c1-10-9-23(16(24)21-11-6-7-12(18)14(20)8-11)17(25-10)22-15-5-3-2-4-13(15)19/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-.
What are the key properties of 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide?
2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 414.75 g/mol, XLogP of 6.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).