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

C18H15Cl2N3O3S — CID 135463838

IUPAC2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-26-12-4-2-3-10(7-12)21-16(24)9-15-17(25)23-18(27-15)22-11-5-6-13(19)14(20)8-11/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyQOFSPQIMKQRRSK-UHFFFAOYSA-N
MW424.31 g/mol
LogP4.25
Rot. Bonds5

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

2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 135463838) has the molecular formula C18H15Cl2N3O3S and a molecular weight of 424.31 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID135463838
Molecular FormulaC18H15Cl2N3O3S
Molecular Weight424.31 g/mol
Exact Mass423.02
IUPAC Name2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC2S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c1
InChIInChI=1S/C18H15Cl2N3O3S/c1-26-12-4-2-3-10(7-12)21-16(24)9-15-17(25)23-18(27-15)22-11-5-6-13(19)14(20)8-11/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyQOFSPQIMKQRRSK-UHFFFAOYSA-N
XLogP4.25
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704975
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704934
2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704933
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
N-(3,4-dichlorophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725343
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135834011
2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135725400
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135691883
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691504
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide (CID 135463838) is 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CC2S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QOFSPQIMKQRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3S/c1-26-12-4-2-3-10(7-12)21-16(24)9-15-17(25)23-18(27-15)22-11-5-6-13(19)14(20)8-11/h2-8,15H,9H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 424.31 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 135463838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).