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

C19H16Cl2N4O4S — CID 135462740

IUPACN-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccc(Cl)c(Cl)c3)S2)ccc1O
InChIInChI=1S/C19H16Cl2N4O4S/c1-29-15-6-10(2-5-14(15)26)9-22-25-19-24-18(28)16(30-19)8-17(27)23-11-3-4-12(20)13(21)7-11/h2-7,9,16,26H,8H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyJYCWUBDPYPQYMF-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.66
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135462740) has the molecular formula C19H16Cl2N4O4S and a molecular weight of 467.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135462740
Molecular FormulaC19H16Cl2N4O4S
Molecular Weight467.33 g/mol
Exact Mass466.03
IUPAC NameN-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccc(Cl)c(Cl)c3)S2)ccc1O
InChIInChI=1S/C19H16Cl2N4O4S/c1-29-15-6-10(2-5-14(15)26)9-22-25-19-24-18(28)16(30-19)8-17(27)23-11-3-4-12(20)13(21)7-11/h2-7,9,16,26H,8H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyJYCWUBDPYPQYMF-UHFFFAOYSA-N
XLogP3.66
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.66
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

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
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-(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
N-(2-fluorophenyl)-2-{4-hydroxy-2-[(4-hydroxy-3-methoxybenzylidene)hydrazono]-2,5-dihydro-1,3-thiazol-5-yl}acetamide
CID 135426306
2-[(2Z)-3-(4-chlorophenyl)-2-[(E)-(4-hydroxy-3-methoxy-phenyl)methylenehydrazono]thiazol-4-yl]-1,4-benzoquinone
CID 136244986
2-((E)-2-((E)-(4-hydroxy-3-methoxybenzylidene)hydrazono)-4-oxothiazolidin-5-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 135585619
2-{(2Z)-4-hydroxy-2-[(2E)-(4-hydroxy-3-methoxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135651249
2-[2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 137214107

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135462740) is N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(C=NN=C2NC(=O)C(CC(=O)Nc3ccc(Cl)c(Cl)c3)S2)ccc1O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is JYCWUBDPYPQYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4S/c1-29-15-6-10(2-5-14(15)26)9-22-25-19-24-18(28)16(30-19)8-17(27)23-11-3-4-12(20)13(21)7-11/h2-7,9,16,26H,8H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 467.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135462740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).