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

C10H13N5O2S3 — CID 2625008

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C10H13N5O2S3/c1-14-6-12-13-9(14)19-4-7(16)11-2-3-15-8(17)5-20-10(15)18/h6H,2-5H2,1H3,(H,11,16)
InChIKeyGQQNCOBMIZYIEX-UHFFFAOYSA-N
MW331.45 g/mol
LogP-0.12
Rot. Bonds6

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

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 2625008) has the molecular formula C10H13N5O2S3 and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-[(4-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID2625008
Molecular FormulaC10H13N5O2S3
Molecular Weight331.45 g/mol
Exact Mass331.02
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S
InChIInChI=1S/C10H13N5O2S3/c1-14-6-12-13-9(14)19-4-7(16)11-2-3-15-8(17)5-20-10(15)18/h6H,2-5H2,1H3,(H,11,16)
InChIKeyGQQNCOBMIZYIEX-UHFFFAOYSA-N
XLogP-0.12
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 5-0.12
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-methyl-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-(1-methyltetrazol-5-yl)sulfanyl-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625069
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-[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
1-[(2R)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 8236263
1-[(2S)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 8292564
1-[(2R)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 8292565

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 2625008) is 2-[(4-methyl-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-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide is Cn1cnnc1SCC(=O)NCCN1C(=O)CSC1=S.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is GQQNCOBMIZYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S3/c1-14-6-12-13-9(14)19-4-7(16)11-2-3-15-8(17)5-20-10(15)18/h6H,2-5H2,1H3,(H,11,16).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[(4-methyl-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 331.45 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-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 2625008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).