(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C13H15N3O3S — CID 135906029

IUPAC(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(/C=N/N=C2/NC(=O)[C@H](C)S2)c1
InChIInChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-6-10(18-2)4-5-11(9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+/t8-/m0/s1
InChIKeyFJSSRCLFFQLKAN-QZNXTOQNSA-N
MW293.35 g/mol
LogP1.65
Rot. Bonds4

About (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135906029) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135906029
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(OC)c(/C=N/N=C2/NC(=O)[C@H](C)S2)c1
InChIInChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-6-10(18-2)4-5-11(9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+/t8-/m0/s1
InChIKeyFJSSRCLFFQLKAN-QZNXTOQNSA-N
XLogP1.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
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'}

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Related Compounds

(5R)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136747843
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696
[4-methyl-2-[(E)-[(Z)-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 135588499
[4-methyl-2-[[[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 137231438
(2Z)-2-[(4-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135711088
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
2-[(2E)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 142410287
2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 172942203
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2Z)-2-[(E)-(3-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135693154
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
[1-[(Z)-[(E)-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzenesulfonate
CID 135851771

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135906029) is (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is COc1ccc(OC)c(/C=N/N=C2/NC(=O)[C@H](C)S2)c1.
What is the InChIKey of (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is FJSSRCLFFQLKAN-QZNXTOQNSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-12(17)15-13(20-8)16-14-7-9-6-10(18-2)4-5-11(9)19-3/h4-8H,1-3H3,(H,15,16,17)/b14-7+/t8-/m0/s1.
What are the key properties of (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135906029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).