2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C25H21ClN4O3S — CID 18804110

IUPAC2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C25H21ClN4O3S/c1-16-2-8-19(9-3-16)28-23(32)14-22-24(33)30(20-10-12-21(31)13-11-20)25(34-22)29-27-15-17-4-6-18(26)7-5-17/h2-13,15,22,31H,14H2,1H3,(H,28,32)/b27-15+,29-25+
InChIKeyFABMTODZHOLALK-XGAOSZHZSA-N
MW492.99 g/mol
LogP5.22
Rot. Bonds6

About 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 18804110) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID18804110
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC Name2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1
InChIInChI=1S/C25H21ClN4O3S/c1-16-2-8-19(9-3-16)28-23(32)14-22-24(33)30(20-10-12-21(31)13-11-20)25(34-22)29-27-15-17-4-6-18(26)7-5-17/h2-13,15,22,31H,14H2,1H3,(H,28,32)/b27-15+,29-25+
InChIKeyFABMTODZHOLALK-XGAOSZHZSA-N
XLogP5.22
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.22
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 18804110) is 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N/N=C/c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1.
What is the InChIKey of 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is FABMTODZHOLALK-XGAOSZHZSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c1-16-2-8-19(9-3-16)28-23(32)14-22-24(33)30(20-10-12-21(31)13-11-20)25(34-22)29-27-15-17-4-6-18(26)7-5-17/h2-13,15,22,31H,14H2,1H3,(H,28,32)/b27-15+,29-25+.
What are the key properties of 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 492.99 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 18804110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).