(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C15H15N3O3S — CID 135693154

IUPAC(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC#CCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC
InChIInChI=1S/C15H15N3O3S/c1-4-7-21-12-6-5-11(8-13(12)20-3)9-16-18-15-17-14(19)10(2)22-15/h1,5-6,8-10H,7H2,2-3H3,(H,17,18,19)/b16-9+
InChIKeyVEBUUQYEYLBGBE-CXUHLZMHSA-N
MW317.37 g/mol
LogP1.65
Rot. Bonds5

About (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135693154) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135693154
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC#CCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC
InChIInChI=1S/C15H15N3O3S/c1-4-7-21-12-6-5-11(8-13(12)20-3)9-16-18-15-17-14(19)10(2)22-15/h1,5-6,8-10H,7H2,2-3H3,(H,17,18,19)/b16-9+
InChIKeyVEBUUQYEYLBGBE-CXUHLZMHSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135711088
(2Z,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 135852398
[2-methoxy-4-[(E)-[(E)-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 2,5-dibromobenzenesulfonate
CID 135437568
2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135766270
(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135906029
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135942078
(2Z,5R)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135820684
(2E)-5-[(4-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135747355
(2E)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-heptyl-1,3-thiazolidin-4-one
CID 135437549
2-[4-oxo-2-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 168621141
(2E)-5-methyl-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925722
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135693154) is (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is C#CCOc1ccc(/C=N/N=C2/NC(=O)C(C)S2)cc1OC.
What is the InChIKey of (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VEBUUQYEYLBGBE-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-4-7-21-12-6-5-11(8-13(12)20-3)9-16-18-15-17-14(19)10(2)22-15/h1,5-6,8-10H,7H2,2-3H3,(H,17,18,19)/b16-9+.
What are the key properties of (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 317.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135693154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).