2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

C18H11N3O5S2 — CID 5292405

IUPAC2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C18H11N3O5S2/c19-17-21(18-20-5-6-27-18)15(23)14(28-17)8-10-2-4-13(26-10)9-1-3-12(22)11(7-9)16(24)25/h1-8,19,22H,(H,24,25)/b14-8-,19-17-
InChIKeyRJZWEPFYPQHKQE-QEEYBCOYSA-N
MW413.44 g/mol
LogP3.86
Rot. Bonds4

About 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid

2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 5292405) has the molecular formula C18H11N3O5S2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
PubChem CID5292405
Molecular FormulaC18H11N3O5S2
Molecular Weight413.44 g/mol
Exact Mass413.01
IUPAC Name2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
SMILES[H]/N=C1\S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C(=O)N1c1nccs1
InChIInChI=1S/C18H11N3O5S2/c19-17-21(18-20-5-6-27-18)15(23)14(28-17)8-10-2-4-13(26-10)9-1-3-12(22)11(7-9)16(24)25/h1-8,19,22H,(H,24,25)/b14-8-,19-17-
InChIKeyRJZWEPFYPQHKQE-QEEYBCOYSA-N
XLogP3.86
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_G(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid 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 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid (CID 5292405) is 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid is [H]/N=C1\S/C(=C\c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C(=O)N1c1nccs1.
What is the InChIKey of 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is RJZWEPFYPQHKQE-QEEYBCOYSA-N. The full InChI is InChI=1S/C18H11N3O5S2/c19-17-21(18-20-5-6-27-18)15(23)14(28-17)8-10-2-4-13(26-10)9-1-3-12(22)11(7-9)16(24)25/h1-8,19,22H,(H,24,25)/b14-8-,19-17-.
What are the key properties of 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid?
2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 413.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[5-[(Z)-[2-imino-4-oxo-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 5292405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).