(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one

C32H31N5O6S — CID 171977734

IUPAC(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\N=C\c3ccc(OC)c(OC)c3)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC
InChIInChI=1S/C32H31N5O6S/c1-20-29(31(39)37(35(20)2)23-10-8-7-9-11-23)36-30(38)28(18-21-12-14-24(40-3)26(16-21)42-5)44-32(36)34-33-19-22-13-15-25(41-4)27(17-22)43-6/h7-19H,1-6H3/b28-18-,33-19+,34-32-
InChIKeyHTZICRRCQQTTSN-JYIKEZOHSA-N
MW613.70 g/mol
LogP5.03
Rot. Bonds9

About (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one

(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (PubChem CID 171977734) has the molecular formula C32H31N5O6S and a molecular weight of 613.70 g/mol. Its IUPAC name is (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
PubChem CID171977734
Molecular FormulaC32H31N5O6S
Molecular Weight613.70 g/mol
Exact Mass613.20
IUPAC Name(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N\N=C\c3ccc(OC)c(OC)c3)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC
InChIInChI=1S/C32H31N5O6S/c1-20-29(31(39)37(35(20)2)23-10-8-7-9-11-23)36-30(38)28(18-21-12-14-24(40-3)26(16-21)42-5)44-32(36)34-33-19-22-13-15-25(41-4)27(17-22)43-6/h7-19H,1-6H3/b28-18-,33-19+,34-32-
InChIKeyHTZICRRCQQTTSN-JYIKEZOHSA-N
XLogP5.03
TPSA108.88 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500613.70
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1364241
2-[4-[(E)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 27421055
(2E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135932790
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1283879
(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842037
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16636937
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6533008
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4755575
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16636928
(5E)-5-benzylidene-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206991
4-[(Z)-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 6207629
(5E)-5-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6272435

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one (CID 171977734) is (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N\N=C\c3ccc(OC)c(OC)c3)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC.
What is the InChIKey of (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
The InChIKey is HTZICRRCQQTTSN-JYIKEZOHSA-N. The full InChI is InChI=1S/C32H31N5O6S/c1-20-29(31(39)37(35(20)2)23-10-8-7-9-11-23)36-30(38)28(18-21-12-14-24(40-3)26(16-21)42-5)44-32(36)34-33-19-22-13-15-25(41-4)27(17-22)43-6/h7-19H,1-6H3/b28-18-,33-19+,34-32-.
What are the key properties of (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one has a molecular weight of 613.70 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 171977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).