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

C13H15N3OS — CID 135666878

IUPAC(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(/C=N/N=C2\NC(=O)CS2)cc1C
InChIInChI=1S/C13H15N3OS/c1-8-4-10(3)11(5-9(8)2)6-14-16-13-15-12(17)7-18-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6+
InChIKeyZDKRBQLDRUFSJM-MKMNVTDBSA-N
MW261.35 g/mol
LogP2.16
Rot. Bonds2

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

(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135666878) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135666878
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(/C=N/N=C2\NC(=O)CS2)cc1C
InChIInChI=1S/C13H15N3OS/c1-8-4-10(3)11(5-9(8)2)6-14-16-13-15-12(17)7-18-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6+
InChIKeyZDKRBQLDRUFSJM-MKMNVTDBSA-N
XLogP2.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
2-[(6-methyl-1,3-benzodioxol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574425
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574449
2-[(2-chloro-3,5-dimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576582
2-[(2-methyl-4-piperidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576217
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
2-[(2-chloro-4,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576222
(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135995765
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[(2,4-dihydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576197
2-[(3,5-dibromo-2-hydroxy-4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573853
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135666878) is (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(C)c(/C=N/N=C2\NC(=O)CS2)cc1C.
What is the InChIKey of (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZDKRBQLDRUFSJM-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-4-10(3)11(5-9(8)2)6-14-16-13-15-12(17)7-18-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6+.
What are the key properties of (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 261.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135666878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).