(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C21H19N5OS2 — CID 135503930

IUPAC(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1c1ccccc1)c1c(C)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C21H19N5OS2/c1-14-19(26(20(28)22-14)17-11-7-4-8-12-17)15(2)23-24-21-25(18(27)13-29-21)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,22,28)/b23-15+,24-21-
InChIKeyOLGGLJNENIUAFP-MJWRSECNSA-N
MW421.55 g/mol
LogP4.70
Rot. Bonds4

About (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 135503930) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID135503930
Molecular FormulaC21H19N5OS2
Molecular Weight421.55 g/mol
Exact Mass421.10
IUPAC Name(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1c1ccccc1)c1c(C)[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C21H19N5OS2/c1-14-19(26(20(28)22-14)17-11-7-4-8-12-17)15(2)23-24-21-25(18(27)13-29-21)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,22,28)/b23-15+,24-21-
InChIKeyOLGGLJNENIUAFP-MJWRSECNSA-N
XLogP4.70
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.70
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 135503930) is (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is C/C(=N\N=C1/SCC(=O)N1c1ccccc1)c1c(C)[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is OLGGLJNENIUAFP-MJWRSECNSA-N. The full InChI is InChI=1S/C21H19N5OS2/c1-14-19(26(20(28)22-14)17-11-7-4-8-12-17)15(2)23-24-21-25(18(27)13-29-21)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3,(H,22,28)/b23-15+,24-21-.
What are the key properties of (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 421.55 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135503930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).