(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one

C18H15N3O5S — CID 137021087

IUPAC(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1
InChIInChI=1S/C18H15N3O5S/c1-2-10-3-5-12(6-4-10)19-18-20-17(24)16(27-18)8-11-7-13(21(25)26)15(23)9-14(11)22/h3-9,22-23H,2H2,1H3,(H,19,20,24)/b16-8-
InChIKeyCPBWIQCVXSIGQP-PXNMLYILSA-N
MW385.40 g/mol
LogP3.46
Rot. Bonds4

About (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137021087) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID137021087
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1
InChIInChI=1S/C18H15N3O5S/c1-2-10-3-5-12(6-4-10)19-18-20-17(24)16(27-18)8-11-7-13(21(25)26)15(23)9-14(11)22/h3-9,22-23H,2H2,1H3,(H,19,20,24)/b16-8-
InChIKeyCPBWIQCVXSIGQP-PXNMLYILSA-N
XLogP3.46
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one 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-(4-ethylphenyl)imino-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidin-4-one
CID 135504910
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135475747
(5Z)-2-(4-ethylphenyl)imino-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137021185
4-[(E)-[2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxy-6-nitrophenolate
CID 135665228
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
(5Z)-2-(4-ethylphenyl)imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135628694
(5Z)-2-(4-ethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522809
(5Z)-5-[(2-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135628665
2-(3,5-dimethylphenyl)imino-5-[(3-hydroxy-4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135414153
(5Z)-5-[(3-bromo-4-hydroxy-5-iodophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 137020158
(5Z)-2-(4-ethoxyphenyl)imino-5-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137065025
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834865

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one (CID 137021087) is (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one is CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1.
What is the InChIKey of (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CPBWIQCVXSIGQP-PXNMLYILSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-2-10-3-5-12(6-4-10)19-18-20-17(24)16(27-18)8-11-7-13(21(25)26)15(23)9-14(11)22/h3-9,22-23H,2H2,1H3,(H,19,20,24)/b16-8-.
What are the key properties of (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 385.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137021087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).