(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one

C13H16N2O4S — CID 1478363

IUPAC(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2CS(=O)(=O)/C(=C/N(C)C)C2=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-14(2)8-12-13(16)15(9-20(12,17)18)10-4-6-11(19-3)7-5-10/h4-8H,9H2,1-3H3/b12-8+
InChIKeyAPZJFAQLAAQTSW-XYOKQWHBSA-N
MW296.35 g/mol
LogP0.82
Rot. Bonds3

About (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one

(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 1478363) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID1478363
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2CS(=O)(=O)/C(=C/N(C)C)C2=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-14(2)8-12-13(16)15(9-20(12,17)18)10-4-6-11(19-3)7-5-10/h4-8H,9H2,1-3H3/b12-8+
InChIKeyAPZJFAQLAAQTSW-XYOKQWHBSA-N
XLogP0.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one (CID 1478363) is (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one is COc1ccc(N2CS(=O)(=O)/C(=C/N(C)C)C2=O)cc1.
What is the InChIKey of (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is APZJFAQLAAQTSW-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14(2)8-12-13(16)15(9-20(12,17)18)10-4-6-11(19-3)7-5-10/h4-8H,9H2,1-3H3/b12-8+.
What are the key properties of (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
(5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 296.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(dimethylaminomethylidene)-3-(4-methoxyphenyl)-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 1478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).