2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

C11H15N5O2S3 — CID 8988329

IUPAC2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCCn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C11H15N5O2S3/c1-2-15-7-13-14-10(15)20-5-8(17)12-3-4-16-9(18)6-21-11(16)19/h7H,2-6H2,1H3,(H,12,17)
InChIKeySTAOBIVJCRZHRX-UHFFFAOYSA-N
MW345.48 g/mol
LogP0.37
Rot. Bonds7

About 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 8988329) has the molecular formula C11H15N5O2S3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID8988329
Molecular FormulaC11H15N5O2S3
Molecular Weight345.48 g/mol
Exact Mass345.04
IUPAC Name2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCCn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C11H15N5O2S3/c1-2-15-7-13-14-10(15)20-5-8(17)12-3-4-16-9(18)6-21-11(16)19/h7H,2-6H2,1H3,(H,12,17)
InChIKeySTAOBIVJCRZHRX-UHFFFAOYSA-N
XLogP0.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 135403759
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-(1,3-thiazolin-2-yl)acetamide
CID 2055093
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625008
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625069
N-{5-[(2-amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6492850
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352509
1-[2-[(4-Propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
CID 7675548
N-(propan-2-yl)-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 7675567
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7784982
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785173
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866644
1-[(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 8236262

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 8988329) is 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is CCn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S.
What is the InChIKey of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is STAOBIVJCRZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S3/c1-2-15-7-13-14-10(15)20-5-8(17)12-3-4-16-9(18)6-21-11(16)19/h7H,2-6H2,1H3,(H,12,17).
What are the key properties of 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 345.48 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 8988329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).