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

C18H14Cl2N4O3S — CID 135665531

IUPACN-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=Cc2cccc(O)c2)NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N4O3S/c19-12-5-2-6-13(16(12)20)22-15(26)8-14-17(27)23-18(28-14)24-21-9-10-3-1-4-11(25)7-10/h1-7,9,14,25H,8H2,(H,22,26)(H,23,24,27)
InChIKeyKIOHEGCHUPFBQO-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.65
Rot. Bonds5

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

N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135665531) has the molecular formula C18H14Cl2N4O3S and a molecular weight of 437.31 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135665531
Molecular FormulaC18H14Cl2N4O3S
Molecular Weight437.31 g/mol
Exact Mass436.02
IUPAC NameN-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/N=Cc2cccc(O)c2)NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2N4O3S/c19-12-5-2-6-13(16(12)20)22-15(26)8-14-17(27)23-18(28-14)24-21-9-10-3-1-4-11(25)7-10/h1-7,9,14,25H,8H2,(H,22,26)(H,23,24,27)
InChIKeyKIOHEGCHUPFBQO-UHFFFAOYSA-N
XLogP3.65
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.65
H-Bond Donors ≤ 53
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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Related Compounds

N-(2,3-dichlorophenyl)-2-[2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539227
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135599556
N-(2-chlorophenyl)-2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135563441
N-(2-chlorophenyl)-2-[2-[(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135538508
N-(2-chlorophenyl)-2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135628386
N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
2-[(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dimethylphenyl)acetamide
CID 135700178
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135691982
2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 136769028
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-ethylphenyl)acetamide
CID 135563445

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135665531) is N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/N=Cc2cccc(O)c2)NC1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is KIOHEGCHUPFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O3S/c19-12-5-2-6-13(16(12)20)22-15(26)8-14-17(27)23-18(28-14)24-21-9-10-3-1-4-11(25)7-10/h1-7,9,14,25H,8H2,(H,22,26)(H,23,24,27).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 437.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(2E)-2-[(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135665531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).