3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

C12H12N2O4S — CID 154441870

IUPAC3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESCOc1cc(OC)cc(C(=O)/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C12H12N2O4S/c1-17-8-3-7(4-9(5-8)18-2)11(16)14-12-13-10(15)6-19-12/h3-5H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyPUMLVJVBQVHQJC-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.06
Rot. Bonds3

About 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 154441870) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID154441870
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESCOc1cc(OC)cc(C(=O)/N=C2\NC(=O)CS2)c1
InChIInChI=1S/C12H12N2O4S/c1-17-8-3-7(4-9(5-8)18-2)11(16)14-12-13-10(15)6-19-12/h3-5H,6H2,1-2H3,(H,13,14,15,16)
InChIKeyPUMLVJVBQVHQJC-UHFFFAOYSA-N
XLogP1.06
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (CID 154441870) is 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is COc1cc(OC)cc(C(=O)/N=C2\NC(=O)CS2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is PUMLVJVBQVHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-17-8-3-7(4-9(5-8)18-2)11(16)14-12-13-10(15)6-19-12/h3-5H,6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 280.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 154441870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).