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

C17H13N3O5S — CID 135464683

IUPAC(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c1
InChIInChI=1S/C17H13N3O5S/c1-25-13-4-2-3-11(9-13)18-17-19-16(22)15(26-17)8-10-7-12(20(23)24)5-6-14(10)21/h2-9,21H,1H3,(H,18,19,22)/b15-8-
InChIKeyODBFWDNWDHNEBT-NVNXTCNLSA-N
MW371.37 g/mol
LogP3.20
Rot. Bonds4

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

(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135464683) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135464683
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1cccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c1
InChIInChI=1S/C17H13N3O5S/c1-25-13-4-2-3-11(9-13)18-17-19-16(22)15(26-17)8-10-7-12(20(23)24)5-6-14(10)21/h2-9,21H,1H3,(H,18,19,22)/b15-8-
InChIKeyODBFWDNWDHNEBT-NVNXTCNLSA-N
XLogP3.20
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
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-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135464683) is (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1cccc(/N=C2\NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3O)S2)c1.
What is the InChIKey of (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ODBFWDNWDHNEBT-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H13N3O5S/c1-25-13-4-2-3-11(9-13)18-17-19-16(22)15(26-17)8-10-7-12(20(23)24)5-6-14(10)21/h2-9,21H,1H3,(H,18,19,22)/b15-8-.
What are the key properties of (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 371.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135464683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).