N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H15ClN4O3S — CID 135726130

IUPACN-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1Cl
InChIInChI=1S/C17H15ClN4O3S/c1-10-4-5-11(7-13(10)18)20-15(23)8-14-16(24)21-17(26-14)22-19-9-12-3-2-6-25-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9-/t14-/m1/s1
InChIKeyASNITKPESMKMJL-NGMPYOPUSA-N
MW390.85 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135726130) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135726130
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1Cl
InChIInChI=1S/C17H15ClN4O3S/c1-10-4-5-11(7-13(10)18)20-15(23)8-14-16(24)21-17(26-14)22-19-9-12-3-2-6-25-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9-/t14-/m1/s1
InChIKeyASNITKPESMKMJL-NGMPYOPUSA-N
XLogP3.19
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.19
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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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135455174
N-(3,4-dichlorophenyl)-2-[(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852306
N-(4-chlorophenyl)-2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135707046
N-(4-chlorophenyl)-2-[(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136877634
4-[[2-[(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135852296
N-(4-bromophenyl)-2-[(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135897948
(2E)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one;2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135707041
2-[(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 136747832
4-[[2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 135659655
N-(2,3-dimethylphenyl)-2-[2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135521236
N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135599521
N-(3-chloro-4-methylphenyl)-2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135526738

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135726130) is N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2S/C(=N/N=C\c3ccco3)NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ASNITKPESMKMJL-NGMPYOPUSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-4-5-11(7-13(10)18)20-15(23)8-14-16(24)21-17(26-14)22-19-9-12-3-2-6-25-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9-/t14-/m1/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 390.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135726130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).