(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

C20H21N3O3S — CID 6887796

IUPAC(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/SCC(=O)N2Cc2ccccc2C)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-14-6-4-5-7-16(14)12-23-19(24)13-27-20(23)22-21-11-15-8-9-17(25-2)10-18(15)26-3/h4-11H,12-13H2,1-3H3/b21-11-,22-20-
InChIKeyODBIMHXYBOBFRN-RKDIDJBFSA-N
MW383.47 g/mol
LogP3.48
Rot. Bonds6

About (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 6887796) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID6887796
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/SCC(=O)N2Cc2ccccc2C)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-14-6-4-5-7-16(14)12-23-19(24)13-27-20(23)22-21-11-15-8-9-17(25-2)10-18(15)26-3/h4-11H,12-13H2,1-3H3/b21-11-,22-20-
InChIKeyODBIMHXYBOBFRN-RKDIDJBFSA-N
XLogP3.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
(2Z)-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6887833
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
CID 3699869
(2E,5S)-5-butyl-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 41020629
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
(2Z)-3-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135699720
(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 6880042
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 5106612
(2Z,5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
CID 40963378
(2Z,5S)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-methyl-1,3-thiazolidin-4-one
CID 40963379
3-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 1422805
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 6887796) is (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(/C=N\N=C2/SCC(=O)N2Cc2ccccc2C)c(OC)c1.
What is the InChIKey of (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ODBIMHXYBOBFRN-RKDIDJBFSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14-6-4-5-7-16(14)12-23-19(24)13-27-20(23)22-21-11-15-8-9-17(25-2)10-18(15)26-3/h4-11H,12-13H2,1-3H3/b21-11-,22-20-.
What are the key properties of (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 383.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6887796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).