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

C23H23N5O2S2 — CID 135515217

IUPAC(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS/C2=N\N=C(/C)c2c(C)[nH]c(=S)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N5O2S2/c1-14-5-7-18(8-6-14)28-21(15(2)24-22(28)31)16(3)25-26-23-27(20(29)13-32-23)17-9-11-19(30-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,31)/b25-16+,26-23-
InChIKeyZQCAEHXUXPTOIN-IYLGLBRYSA-N
MW465.60 g/mol
LogP5.02
Rot. Bonds5

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

(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135515217) has the molecular formula C23H23N5O2S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135515217
Molecular FormulaC23H23N5O2S2
Molecular Weight465.60 g/mol
Exact Mass465.13
IUPAC Name(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS/C2=N\N=C(/C)c2c(C)[nH]c(=S)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N5O2S2/c1-14-5-7-18(8-6-14)28-21(15(2)24-22(28)31)16(3)25-26-23-27(20(29)13-32-23)17-9-11-19(30-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,31)/b25-16+,26-23-
InChIKeyZQCAEHXUXPTOIN-IYLGLBRYSA-N
XLogP5.02
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

(2Z)-3-(4-bromophenyl)-2-[(E)-1-(5-methyl-3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135490447
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 172694877
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1379814
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730
3-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 2731104
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
(2Z)-3-(4-methylphenyl)-2-[(naphthalen-2-ylamino)methylimino]-1,3-thiazolidin-4-one
CID 6443102
1-[4-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CID 704743
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
3-(4-tert-butylphenyl)-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172741720
(2E)-2-[(E)-(4-acetyl-5-methyl-1H-pyrrol-2-yl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 135513334

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135515217) is (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CS/C2=N\N=C(/C)c2c(C)[nH]c(=S)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZQCAEHXUXPTOIN-IYLGLBRYSA-N. The full InChI is InChI=1S/C23H23N5O2S2/c1-14-5-7-18(8-6-14)28-21(15(2)24-22(28)31)16(3)25-26-23-27(20(29)13-32-23)17-9-11-19(30-4)12-10-17/h5-12H,13H2,1-4H3,(H,24,31)/b25-16+,26-23-.
What are the key properties of (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 465.60 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135515217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).