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

C25H21ClN4O5S — CID 135585623

IUPACN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C25H21ClN4O5S/c1-35-21-12-15(2-11-20(21)32)14-27-29-25-30(18-7-9-19(31)10-8-18)24(34)22(36-25)13-23(33)28-17-5-3-16(26)4-6-17/h2-12,14,22,31-32H,13H2,1H3,(H,28,33)/b27-14+,29-25+
InChIKeyQCCUOMNWUAGICE-SQHZREAOSA-N
MW524.99 g/mol
LogP4.63
Rot. Bonds7

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

N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135585623) has the molecular formula C25H21ClN4O5S and a molecular weight of 524.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135585623
Molecular FormulaC25H21ClN4O5S
Molecular Weight524.99 g/mol
Exact Mass524.09
IUPAC NameN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)ccc1O
InChIInChI=1S/C25H21ClN4O5S/c1-35-21-12-15(2-11-20(21)32)14-27-29-25-30(18-7-9-19(31)10-8-18)24(34)22(36-25)13-23(33)28-17-5-3-16(26)4-6-17/h2-12,14,22,31-32H,13H2,1H3,(H,28,33)/b27-14+,29-25+
InChIKeyQCCUOMNWUAGICE-SQHZREAOSA-N
XLogP4.63
TPSA123.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.99
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135685650
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18804110
2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135601193
2-[(2E,5R)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136911111
2-[[2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]acetic acid
CID 135851287
2-[3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3390739
N-(4-chlorophenyl)-2-[(2E,5R)-2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135892769
2-[(2E)-3-(4-hydroxyphenyl)-2-[(Z)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135968340
2-[3-(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3394136
2-[4-[(Z)-[(Z)-[(5R)-5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 98143930
2-[(2E)-3-(4-hydroxyphenyl)-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 18804116
2-[(2E,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6860125

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135585623) is N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(/C=N/N=C2/SC(CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)ccc1O.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QCCUOMNWUAGICE-SQHZREAOSA-N. The full InChI is InChI=1S/C25H21ClN4O5S/c1-35-21-12-15(2-11-20(21)32)14-27-29-25-30(18-7-9-19(31)10-8-18)24(34)22(36-25)13-23(33)28-17-5-3-16(26)4-6-17/h2-12,14,22,31-32H,13H2,1H3,(H,28,33)/b27-14+,29-25+.
What are the key properties of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 524.99 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135585623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).