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

C15H11NO4S — CID 11551198

IUPAC(5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(O)c(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1
InChIInChI=1S/C15H11NO4S/c1-8-2-4-11(17)10(6-8)12-5-3-9(20-12)7-13-14(18)16-15(19)21-13/h2-7,17H,1H3,(H,16,18,19)/b13-7-
InChIKeyCMZIHVRMPLWUAZ-QPEQYQDCSA-N
MW301.32 g/mol
LogP3.28
Rot. Bonds2

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

(5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11551198) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11551198
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name(5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(O)c(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1
InChIInChI=1S/C15H11NO4S/c1-8-2-4-11(17)10(6-8)12-5-3-9(20-12)7-13-14(18)16-15(19)21-13/h2-7,17H,1H3,(H,16,18,19)/b13-7-
InChIKeyCMZIHVRMPLWUAZ-QPEQYQDCSA-N
XLogP3.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.28
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11551198) is (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(O)c(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1.
What is the InChIKey of (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CMZIHVRMPLWUAZ-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-8-2-4-11(17)10(6-8)12-5-3-9(20-12)7-13-14(18)16-15(19)21-13/h2-7,17H,1H3,(H,16,18,19)/b13-7-.
What are the key properties of (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 301.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-hydroxy-5-methylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11551198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).