N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C8H13N3O2S3 — CID 7820442

IUPACN-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(SC)s1
InChIInChI=1S/C8H13N3O2S3/c1-13-4-3-9-6(12)5-15-8-11-10-7(14-2)16-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyNQBPHPBJBCITAK-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.11
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7820442) has the molecular formula C8H13N3O2S3 and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID7820442
Molecular FormulaC8H13N3O2S3
Molecular Weight279.41 g/mol
Exact Mass279.02
IUPAC NameN-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCOCCNC(=O)CSc1nnc(SC)s1
InChIInChI=1S/C8H13N3O2S3/c1-13-4-3-9-6(12)5-15-8-11-10-7(14-2)16-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyNQBPHPBJBCITAK-UHFFFAOYSA-N
XLogP1.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 7820442) is N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is COCCNC(=O)CSc1nnc(SC)s1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NQBPHPBJBCITAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S3/c1-13-4-3-9-6(12)5-15-8-11-10-7(14-2)16-8/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 279.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7820442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).