methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C23H14Cl2N2O4S — CID 142727545

About methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 142727545) has the molecular formula C23H14Cl2N2O4S and a molecular weight of 485.35 g/mol. Its IUPAC name is methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

• Compound Name: methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
• PubChem CID: 142727545
• Molecular Formula: C23H14Cl2N2O4S
• Molecular Weight: 485.35 g/mol
• Exact Mass: 484.01
• IUPAC Name: methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
• SMILES: COC(=O)/C=C1\S/C(=N\C(=O)c2ccc3ccccc3c2)N(c2c(Cl)cccc2Cl)C1=O
• InChI: InChI=1S/C23H14Cl2N2O4S/c1-31-19(28)12-18-22(30)27(20-16(24)7-4-8-17(20)25)23(32-18)26-21(29)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,1H3/b18-12-,26-23-
• InChIKey: XZXZDPPFUCUWRO-MNULPCLDSA-N
• XLogP: 5.48
• TPSA: 76.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.35
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?

The IUPAC name of methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 142727545) is methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

What is the SMILES notation for methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?

The canonical SMILES for methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is COC(=O)/C=C1\S/C(=N\C(=O)c2ccc3ccccc3c2)N(c2c(Cl)cccc2Cl)C1=O.

What is the InChIKey of methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?

The InChIKey is XZXZDPPFUCUWRO-MNULPCLDSA-N. The full InChI is InChI=1S/C23H14Cl2N2O4S/c1-31-19(28)12-18-22(30)27(20-16(24)7-4-8-17(20)25)23(32-18)26-21(29)15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,1H3/b18-12-,26-23-.

What are the key properties of methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate?

methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 485.35 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z)-2-[3-(2,6-dichlorophenyl)-2-(naphthalene-2-carbonylimino)-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 142727545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).