N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide

C15H12N2O4S2 — CID 2385652

IUPACN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccco1
InChIInChI=1S/C15H12N2O4S2/c18-13(11-4-1-7-21-11)16-5-6-17-14(19)12(23-15(17)20)9-10-3-2-8-22-10/h1-4,7-9H,5-6H2,(H,16,18)/b12-9-
InChIKeyAYPOEJRTSKWQHE-XFXZXTDPSA-N
MW348.41 g/mol
LogP2.81
Rot. Bonds5

About N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide

N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide (PubChem CID 2385652) has the molecular formula C15H12N2O4S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
PubChem CID2385652
Molecular FormulaC15H12N2O4S2
Molecular Weight348.41 g/mol
Exact Mass348.02
IUPAC NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccco1
InChIInChI=1S/C15H12N2O4S2/c18-13(11-4-1-7-21-11)16-5-6-17-14(19)12(23-15(17)20)9-10-3-2-8-22-10/h1-4,7-9H,5-6H2,(H,16,18)/b12-9-
InChIKeyAYPOEJRTSKWQHE-XFXZXTDPSA-N
XLogP2.81
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide (CID 2385652) is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide is O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccco1.
What is the InChIKey of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide?
The InChIKey is AYPOEJRTSKWQHE-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H12N2O4S2/c18-13(11-4-1-7-21-11)16-5-6-17-14(19)12(23-15(17)20)9-10-3-2-8-22-10/h1-4,7-9H,5-6H2,(H,16,18)/b12-9-.
What are the key properties of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide?
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 2385652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).