2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H15N3O4S — CID 135443957

IUPAC2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(C=NN=C2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyFTTJVOUPARAIBB-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.27
Rot. Bonds5

About 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135443957) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135443957
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(C=NN=C2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyFTTJVOUPARAIBB-UHFFFAOYSA-N
XLogP1.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-Dimethoxybenzylidene)hydrazono] thiazolidin-4-one
CID 135454338
(2E)-2-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135419868
(Z)-2-((Z)-(4-Ethoxy-3-methoxybenzoylidine)hydrazono)thiazolidine-4-one (17)
CID 136161879
(2E)-2-{(2E)-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628897
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 49843040
3-methoxybenzaldehyde [(2E)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135981156
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7759157
4-Hydroxy-3,5-dimethoxybenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135519180
(Z)-2-((Z)-(4-(Dimethyl amino)benzylodine)hydrazono)thiazolidine-4-one (12)
CID 135572138
2-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-1,3-thiazol-4(5H)-one
CID 135641784
(Z)-2-((Z)-(2,4-Dimethoxybenzoylidine)hydrazono)thiazolidine-4-one (18)
CID 136087459
3-[(1E)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-azavinyl]-2-thioxo-1,3-thiazolidin-4-one
CID 135736469

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135443957) is 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(C=NN=C2NC(=O)CS2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FTTJVOUPARAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135443957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).