5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione

C19H16N2O4S — CID 155293002

IUPAC5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C=NN2C(=O)SC(=Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-15-7-3-13(4-8-15)11-17-18(22)21(19(23)26-17)20-12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3
InChIKeyUJTQXILTFZVGSM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.77
Rot. Bonds5

About 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione

5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione (PubChem CID 155293002) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
PubChem CID155293002
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C=NN2C(=O)SC(=Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-15-7-3-13(4-8-15)11-17-18(22)21(19(23)26-17)20-12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3
InChIKeyUJTQXILTFZVGSM-UHFFFAOYSA-N
XLogP3.77
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-Methoxybenzylidene)amino]-2-thioxo-1,3-thiazolidin-4-one
CID 5341305
3-[(4-Phenylmethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 276645
1-[(4-methoxybenzylidene)amino]-4,6-dimethyl-2(1H)-pyridinone
CID 6869581
Cinnamic (4-methoxybenzylidene)hydrazide
CID 9672143
Acetic acid, (4-((4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, ((4-methoxyphenyl)methylene)hydrazide
CID 9588726
methyl (2Z)-2-[(2E)-2-[(E)-(4-benzyloxyphenyl)methylenehydrazono]-4-oxo-thiazolidin-5-ylidene]acetate
CID 136259847
(E)-3-(4-methoxyphenyl)-N-[(E)-(4-methylphenyl)methylideneamino]prop-2-enamide
CID 145978626
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172451219
(Z)-5-(4-methoxybenzylidene)-3-((E)-(4-methoxybenzylidene)amino)-2-thioxothiazolidin-4-one
CID 6862954
(e)-3-((2-Fluoro-4-methoxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 163320518
(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 687605
3-({(E)-1-[4-(Benzyloxy)phenyl]methylidene}amino)-2-thioxo-1,3-thiazolan-4-one
CID 9554287

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione (CID 155293002) is 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione is COc1ccc(C=NN2C(=O)SC(=Cc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The InChIKey is UJTQXILTFZVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-15-7-3-13(4-8-15)11-17-18(22)21(19(23)26-17)20-12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione has a molecular weight of 368.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155293002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).