2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide

C17H19N5O4S — CID 86261538

IUPAC2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O4S/c23-15(18-11-6-8-13(9-7-11)22(25)26)10-14-16(24)19-17(27-14)21-20-12-4-2-1-3-5-12/h6-9,14H,1-5,10H2,(H,18,23)(H,19,21,24)
InChIKeyFQFCMDUHICBNIX-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.83
Rot. Bonds5

About 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide

2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 86261538) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
PubChem CID86261538
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(CC1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N5O4S/c23-15(18-11-6-8-13(9-7-11)22(25)26)10-14-16(24)19-17(27-14)21-20-12-4-2-1-3-5-12/h6-9,14H,1-5,10H2,(H,18,23)(H,19,21,24)
InChIKeyFQFCMDUHICBNIX-UHFFFAOYSA-N
XLogP2.83
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
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'}

Analyze 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
N-(4-acetylphenyl)-2-[(2Z,5S)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136858491
2-[(2E)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135555691
2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136886862
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
2-[2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 135489616
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
2-[(2E)-2-[1-(4-nitrophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135665542
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135589758
N-(4-nitrophenyl)-2-[(2Z)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 155553599

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide (CID 86261538) is 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide is O=C(CC1S/C(=N/N=C2CCCCC2)NC1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is FQFCMDUHICBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c23-15(18-11-6-8-13(9-7-11)22(25)26)10-14-16(24)19-17(27-14)21-20-12-4-2-1-3-5-12/h6-9,14H,1-5,10H2,(H,18,23)(H,19,21,24).
What are the key properties of 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 389.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 86261538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).