2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C19H17N5O4S — CID 135950420

IUPAC2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=C(N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N5O4S/c1-12(13-7-9-15(10-8-13)24(27)28)22-23-19-21-18(26)16(29-19)11-17(25)20-14-5-3-2-4-6-14/h2-10,16,22H,1,11H2,(H,20,25)(H,21,23,26)/t16-/m1/s1
InChIKeyRYVDYEVYUBAIEK-MRXNPFEDSA-N
MW411.44 g/mol
LogP2.69
Rot. Bonds7

About 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135950420) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135950420
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=C(N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H17N5O4S/c1-12(13-7-9-15(10-8-13)24(27)28)22-23-19-21-18(26)16(29-19)11-17(25)20-14-5-3-2-4-6-14/h2-10,16,22H,1,11H2,(H,20,25)(H,21,23,26)/t16-/m1/s1
InChIKeyRYVDYEVYUBAIEK-MRXNPFEDSA-N
XLogP2.69
TPSA125.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[1-(4-nitrophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135665542
N-(3-nitrophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618395
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 135489616
N-(4-nitrophenyl)-2-[(2Z)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 155553599
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135836355
2-[(2E,5S)-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135852085
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 86261538
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135775065

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135950420) is 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=C(N/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is RYVDYEVYUBAIEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-12(13-7-9-15(10-8-13)24(27)28)22-23-19-21-18(26)16(29-19)11-17(25)20-14-5-3-2-4-6-14/h2-10,16,22H,1,11H2,(H,20,25)(H,21,23,26)/t16-/m1/s1.
What are the key properties of 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 411.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135950420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).