methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

C18H14N4O5S — CID 73262756

IUPACmethyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=C1SC(=NNc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H14N4O5S/c1-27-16(23)11-15-17(24)21(13-5-3-2-4-6-13)18(28-15)20-19-12-7-9-14(10-8-12)22(25)26/h2-11,19H,1H3
InChIKeyGZPXMJTYLCPFTI-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.11
Rot. Bonds5

About methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate

methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 73262756) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
PubChem CID73262756
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC Namemethyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=C1SC(=NNc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H14N4O5S/c1-27-16(23)11-15-17(24)21(13-5-3-2-4-6-13)18(28-15)20-19-12-7-9-14(10-8-12)22(25)26/h2-11,19H,1H3
InChIKeyGZPXMJTYLCPFTI-UHFFFAOYSA-N
XLogP3.11
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate 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

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139670007
methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
CID 139669909
methyl (2E)-2-[2-(naphthalene-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 90668344
methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
CID 139237246
(2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 6863533
ethyl (2Z)-2-[(2Z)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 154584437
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
CID 102361310
methyl (2E)-2-[3-(4-chlorophenyl)-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]acetate
CID 6976743
methyl (2E)-2-[3-(4-methoxyphenyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-ylidene]acetate
CID 2719217
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[(4-nitrophenyl)methylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 18844059
(5Z)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 6050819
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-5-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 10462031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate (CID 73262756) is methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is COC(=O)C=C1SC(=NNc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is GZPXMJTYLCPFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5S/c1-27-16(23)11-15-17(24)21(13-5-3-2-4-6-13)18(28-15)20-19-12-7-9-14(10-8-12)22(25)26/h2-11,19H,1H3.
What are the key properties of methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate?
methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 398.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 73262756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).