2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate

C18H14N3O4S- — CID 6978844

IUPAC2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate
SMILESCOc1ccccc1/N=C1\SCC(=O)N1/N=C\c1ccccc1C(=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-25-15-9-5-4-8-14(15)20-18-21(16(22)11-26-18)19-10-12-6-2-3-7-13(12)17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b19-10-,20-18-
InChIKeyDOQYWFJZQVHFDC-DUASSGOGSA-M
MW368.39 g/mol
LogP1.66
Rot. Bonds5

About 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate

2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate (PubChem CID 6978844) has the molecular formula C18H14N3O4S- and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate.

Molecular Properties

Compound Name2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate
PubChem CID6978844
Molecular FormulaC18H14N3O4S-
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate
SMILESCOc1ccccc1/N=C1\SCC(=O)N1/N=C\c1ccccc1C(=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-25-15-9-5-4-8-14(15)20-18-21(16(22)11-26-18)19-10-12-6-2-3-7-13(12)17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b19-10-,20-18-
InChIKeyDOQYWFJZQVHFDC-DUASSGOGSA-M
XLogP1.66
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate?
The IUPAC name of 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate (CID 6978844) is 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate.
What is the SMILES notation for 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate?
The canonical SMILES for 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate is COc1ccccc1/N=C1\SCC(=O)N1/N=C\c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate?
The InChIKey is DOQYWFJZQVHFDC-DUASSGOGSA-M. The full InChI is InChI=1S/C18H15N3O4S/c1-25-15-9-5-4-8-14(15)20-18-21(16(22)11-26-18)19-10-12-6-2-3-7-13(12)17(23)24/h2-10H,11H2,1H3,(H,23,24)/p-1/b19-10-,20-18-.
What are the key properties of 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate?
2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate has a molecular weight of 368.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoate is sourced from PubChem (CID 6978844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).