2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H9N3O4S2 — CID 162666232

IUPAC2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1nccs1
InChIInChI=1S/C13H9N3O4S2/c17-10(15-12-14-3-5-21-12)7-16-11(18)9(22-13(16)19)6-8-2-1-4-20-8/h1-6H,7H2,(H,14,15,17)/b9-6+
InChIKeyFIQJMSWQWAFKFP-RMKNXTFCSA-N
MW335.37 g/mol
LogP2.41
Rot. Bonds4

About 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 162666232) has the molecular formula C13H9N3O4S2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID162666232
Molecular FormulaC13H9N3O4S2
Molecular Weight335.37 g/mol
Exact Mass335.00
IUPAC Name2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1nccs1
InChIInChI=1S/C13H9N3O4S2/c17-10(15-12-14-3-5-21-12)7-16-11(18)9(22-13(16)19)6-8-2-1-4-20-8/h1-6H,7H2,(H,14,15,17)/b9-6+
InChIKeyFIQJMSWQWAFKFP-RMKNXTFCSA-N
XLogP2.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 162666232) is 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1nccs1.
What is the InChIKey of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FIQJMSWQWAFKFP-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H9N3O4S2/c17-10(15-12-14-3-5-21-12)7-16-11(18)9(22-13(16)19)6-8-2-1-4-20-8/h1-6H,7H2,(H,14,15,17)/b9-6+.
What are the key properties of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 162666232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).