(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one

C24H27N3O4S — CID 42034110

IUPAC(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N\N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O4S/c1-5-13-27-23(28)22(15-17-7-10-19(11-8-17)31-6-2)32-24(27)26-25-16-18-9-12-20(29-3)21(14-18)30-4/h5,7-12,14,16,22H,1,6,13,15H2,2-4H3/b25-16-,26-24-/t22-/m1/s1
InChIKeyRPMIENGBQFAITJ-IYXXHFEHSA-N
MW453.56 g/mol
LogP4.17
Rot. Bonds10

About (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 42034110) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID42034110
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N\N=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O4S/c1-5-13-27-23(28)22(15-17-7-10-19(11-8-17)31-6-2)32-24(27)26-25-16-18-9-12-20(29-3)21(14-18)30-4/h5,7-12,14,16,22H,1,6,13,15H2,2-4H3/b25-16-,26-24-/t22-/m1/s1
InChIKeyRPMIENGBQFAITJ-IYXXHFEHSA-N
XLogP4.17
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6893369
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3466817
4-[[(5S)-5-[(4-ethoxyphenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 1354899
4-[[5-[(4-ethoxyphenyl)methyl]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 2875654
(2Z,5R)-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 98118994
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648312
5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 3929143
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
(2E)-5-[(4-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135747355
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 42034110) is (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N\N=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is RPMIENGBQFAITJ-IYXXHFEHSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-5-13-27-23(28)22(15-17-7-10-19(11-8-17)31-6-2)32-24(27)26-25-16-18-9-12-20(29-3)21(14-18)30-4/h5,7-12,14,16,22H,1,6,13,15H2,2-4H3/b25-16-,26-24-/t22-/m1/s1.
What are the key properties of (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 453.56 g/mol, XLogP of 4.17, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42034110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).