(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H9NO4S — CID 11550986

IUPAC(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccc(O)c3)o2)S1
InChIInChI=1S/C14H9NO4S/c16-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)/b12-7-
InChIKeyNIGGPHOUZYQQAL-GHXNOFRVSA-N
MW287.30 g/mol
LogP2.98
Rot. Bonds2

About (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11550986) has the molecular formula C14H9NO4S and a molecular weight of 287.30 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11550986
Molecular FormulaC14H9NO4S
Molecular Weight287.30 g/mol
Exact Mass287.03
IUPAC Name(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3cccc(O)c3)o2)S1
InChIInChI=1S/C14H9NO4S/c16-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)/b12-7-
InChIKeyNIGGPHOUZYQQAL-GHXNOFRVSA-N
XLogP2.98
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

AS-252424
CID 11630874
5-[5-(2-Hydroxyphenyl)furan-2-ylmethylene]thiazolidine-2, 4-dione
CID 11522078
4-(5-((4-Oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
CID 1205672
3-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-2-methylbenzoic acid
CID 6043867
(E)-5-((5-(4-fluorophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 1204893
5-[[5-(4-Fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
5-[5-(4-Hydroxyphenyl)furan-2-ylmethylene]thiazolidine-2, 4-dione
CID 10125446
2-(5-(((5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid
CID 1202787
4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
CID 137349069
5-{[5-(3-Bromophenyl)-2-furyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1205381
5-[5-(2-Hydroxy-5-methylphenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11551198
5-[5-(2-Hydroxy-5-trifluoromethoxyphenyl)furan-2-ylmethylene]thiazolidine-2,4-dione
CID 11566902

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11550986) is (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3cccc(O)c3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NIGGPHOUZYQQAL-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H9NO4S/c16-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)15-14(18)20-12/h1-7,16H,(H,15,17,18)/b12-7-.
What are the key properties of (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 287.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11550986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).