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

C19H17ClN4O4S — CID 135585622

IUPACN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)ccc1O
InChIInChI=1S/C19H17ClN4O4S/c1-28-15-8-11(2-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-12(20)4-6-13/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+
InChIKeySVKOESDFKLFCSL-UFFVCSGVSA-N
MW432.89 g/mol
LogP3.00
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135585622) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135585622
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC NameN-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)ccc1O
InChIInChI=1S/C19H17ClN4O4S/c1-28-15-8-11(2-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-12(20)4-6-13/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+
InChIKeySVKOESDFKLFCSL-UFFVCSGVSA-N
XLogP3.00
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

[2-[(3,4-Dimethoxy-benzylidene)-hydrazono]-3-(4-hydroxy-phenyl)-4-oxo-thiazolidin-5-yl]-acetic acid
CID 5804870
N-(2-fluorophenyl)-2-[3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135460514
2-[2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135496476
2-[(3-Benzo[1,3]dioxol-5-yl-1-methyl-propylidene)-hydrazono]-4-oxo-[1,3]thiazinane-6-carboxylic acid (4-chloro-phenyl)-amide
CID 135511002
4-Hydroxy-3-methoxybenzaldehyde [3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazone
CID 135438890
[2-[(4-Hydroxy-3-methoxybenzylidene)hydrazono]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135501776
N-(3,4-dichlorophenyl)-2-[(2Z)-4-hydroxy-2-[(E)-(4-hydroxy-3-methoxy-phenyl)methylenehydrazono]-5H-thiazol-5-yl]acetamide
CID 135422601
N-(3,4-dichlorophenyl)-2-[(2Z)-4-hydroxy-2-[(E)-(4-hydroxy-3-methoxy-phenyl)methylenehydrazono]-5H-oxazol-5-yl]acetamide
CID 135465436
2-[[(4-Hydroxy-3-methoxyphenyl)methylene]-hydrazono]-4-oxo-3-phenyl-5-thiazolidineacetic acid
CID 136036534
N-(3-chloro-4-methylphenyl)-2-{4-hydroxy-2-[(3-hydroxybenzylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135426290
N-(2-fluorophenyl)-2-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4831443
2-[(2Z)-3-(4-chlorophenyl)-2-[(E)-(3-hydroxy-4-methoxy-phenyl)methylenehydrazono]thiazol-4-yl]-1,4-benzoquinone
CID 76316262

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135585622) is N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-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]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)ccc1O.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SVKOESDFKLFCSL-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-28-15-8-11(2-7-14(15)25)10-21-24-19-23-18(27)16(29-19)9-17(26)22-13-5-3-12(20)4-6-13/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+.
What are the key properties of N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 432.89 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2E)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135585622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).