2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C8H13N3O3S2 — CID 654541

IUPAC2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCCSc1nnc(NC(=O)COC)s1
InChIInChI=1S/C8H13N3O3S2/c1-13-3-4-15-8-11-10-7(16-8)9-6(12)5-14-2/h3-5H2,1-2H3,(H,9,10,12)
InChIKeyGYGPYKFBBQTXOJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds7

About 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 654541) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID654541
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCCSc1nnc(NC(=O)COC)s1
InChIInChI=1S/C8H13N3O3S2/c1-13-3-4-15-8-11-10-7(16-8)9-6(12)5-14-2/h3-5H2,1-2H3,(H,9,10,12)
InChIKeyGYGPYKFBBQTXOJ-UHFFFAOYSA-N
XLogP0.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 654541) is 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is COCCSc1nnc(NC(=O)COC)s1.
What is the InChIKey of 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is GYGPYKFBBQTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-13-3-4-15-8-11-10-7(16-8)9-6(12)5-14-2/h3-5H2,1-2H3,(H,9,10,12).
What are the key properties of 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 654541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).