(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C24H20N8O2S — CID 137185738

IUPAC(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2S/C(=N\N=Cc3c(C)nn(-c4ccccc4)c3-n3cncn3)NC2=O)cc1
InChIInChI=1S/C24H20N8O2S/c1-16-20(23(31-15-25-14-27-31)32(30-16)18-6-4-3-5-7-18)13-26-29-24-28-22(33)21(35-24)12-17-8-10-19(34-2)11-9-17/h3-15H,1-2H3,(H,28,29,33)
InChIKeyLPZKTEYZRYPOON-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.36
Rot. Bonds6

About (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137185738) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137185738
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC Name(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=C2S/C(=N\N=Cc3c(C)nn(-c4ccccc4)c3-n3cncn3)NC2=O)cc1
InChIInChI=1S/C24H20N8O2S/c1-16-20(23(31-15-25-14-27-31)32(30-16)18-6-4-3-5-7-18)13-26-29-24-28-22(33)21(35-24)12-17-8-10-19(34-2)11-9-17/h3-15H,1-2H3,(H,28,29,33)
InChIKeyLPZKTEYZRYPOON-UHFFFAOYSA-N
XLogP3.36
TPSA111.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505964
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137120482
2-(benzylidenehydrazinylidene)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413169
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206972
5-[(4-methoxyphenyl)methylidene]-2-[(4-propan-2-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135439252
(2Z,5Z)-5-[(2-iodophenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136772662
(5E)-5-benzylidene-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206991
(2E,5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135531577
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137207064
(5Z)-2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135867755
5-[(4-methoxyphenyl)methylidene]-2-[(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486560
2-(2-fluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486755

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137185738) is (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(C=C2S/C(=N\N=Cc3c(C)nn(-c4ccccc4)c3-n3cncn3)NC2=O)cc1.
What is the InChIKey of (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LPZKTEYZRYPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S/c1-16-20(23(31-15-25-14-27-31)32(30-16)18-6-4-3-5-7-18)13-26-29-24-28-22(33)21(35-24)12-17-8-10-19(34-2)11-9-17/h3-15H,1-2H3,(H,28,29,33).
What are the key properties of (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 484.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(4-methoxyphenyl)methylidene]-2-[[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137185738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).