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

C12H12N2O3S2 — CID 2385929

IUPACN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C12H12N2O3S2/c1-8(15)13-4-5-14-11(16)10(19-12(14)17)7-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)/b10-7-
InChIKeySXVIRFGTGADSKU-YFHOEESVSA-N
MW296.37 g/mol
LogP1.92
Rot. Bonds4

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

N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide (PubChem CID 2385929) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
PubChem CID2385929
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)S/C(=C\c2cccs2)C1=O
InChIInChI=1S/C12H12N2O3S2/c1-8(15)13-4-5-14-11(16)10(19-12(14)17)7-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)/b10-7-
InChIKeySXVIRFGTGADSKU-YFHOEESVSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
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 N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide (CID 2385929) is N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide is CC(=O)NCCN1C(=O)S/C(=C\c2cccs2)C1=O.
What is the InChIKey of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide?
The InChIKey is SXVIRFGTGADSKU-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-8(15)13-4-5-14-11(16)10(19-12(14)17)7-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)/b10-7-.
What are the key properties of N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide?
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]acetamide is sourced from PubChem (CID 2385929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).