2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C18H18N4O3S — CID 135828103

IUPAC2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESC=C(N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)c1ccco1
InChIInChI=1S/C18H18N4O3S/c1-11-6-3-4-7-13(11)19-16(23)10-15-17(24)20-18(26-15)22-21-12(2)14-8-5-9-25-14/h3-9,15,21H,2,10H2,1H3,(H,19,23)(H,20,22,24)/t15-/m0/s1
InChIKeyGJSDNSZEVMZBAM-HNNXBMFYSA-N
MW370.43 g/mol
LogP2.68
Rot. Bonds6

About 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 135828103) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID135828103
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESC=C(N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)c1ccco1
InChIInChI=1S/C18H18N4O3S/c1-11-6-3-4-7-13(11)19-16(23)10-15-17(24)20-18(26-15)22-21-12(2)14-8-5-9-25-14/h3-9,15,21H,2,10H2,1H3,(H,19,23)(H,20,22,24)/t15-/m0/s1
InChIKeyGJSDNSZEVMZBAM-HNNXBMFYSA-N
XLogP2.68
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.68
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-methylphenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618436
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692170
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135692169
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
2-[(2E)-2-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135599472
2-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135537406
N-(2-methylphenyl)-2-[(2Z,5S)-4-oxo-2-[(Z)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 136820373
N-(2,3-dimethylphenyl)-2-[2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135521236
2-[(2E)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135599505
2-[(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135563440
N-(2-methylphenyl)-2-[(2E,5S)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135852298

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 135828103) is 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is C=C(N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1)c1ccco1.
What is the InChIKey of 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is GJSDNSZEVMZBAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-6-3-4-7-13(11)19-16(23)10-15-17(24)20-18(26-15)22-21-12(2)14-8-5-9-25-14/h3-9,15,21H,2,10H2,1H3,(H,19,23)(H,20,22,24)/t15-/m0/s1.
What are the key properties of 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5S)-2-[1-(furan-2-yl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 135828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).