(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one

C18H15NO4S — CID 8830911

About (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8830911) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 8830911
• Molecular Formula: C18H15NO4S
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.07
• IUPAC Name: (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc(C)c1O
• InChI: InChI=1S/C18H15NO4S/c1-10-6-12(7-11(2)17(10)21)8-15-18(22)19-16(24-15)9-13(20)14-4-3-5-23-14/h3-9,21H,1-2H3,(H,19,22)/b15-8-,16-9-
• InChIKey: GKHWROSTAFKYGP-SRKDFGFSSA-N
• XLogP: 1.84
• TPSA: 83.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8830911) is (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one is Cc1cc(/C=c2\s/c(=C\C(=O)c3ccco3)[nH]c2=O)cc(C)c1O.

What is the InChIKey of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is GKHWROSTAFKYGP-SRKDFGFSSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-10-6-12(7-11(2)17(10)21)8-15-18(22)19-16(24-15)9-13(20)14-4-3-5-23-14/h3-9,21H,1-2H3,(H,19,22)/b15-8-,16-9-.

What are the key properties of (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one?

(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8830911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).