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

C9H15N3O3S2 — CID 645356

IUPAC2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCC(=O)Nc1nnc(SCCOC)s1
InChIInChI=1S/C9H15N3O3S2/c1-3-15-6-7(13)10-8-11-12-9(17-8)16-5-4-14-2/h3-6H2,1-2H3,(H,10,11,13)
InChIKeySNJFHHQQXLVJQV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds8

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

2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 645356) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID645356
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCC(=O)Nc1nnc(SCCOC)s1
InChIInChI=1S/C9H15N3O3S2/c1-3-15-6-7(13)10-8-11-12-9(17-8)16-5-4-14-2/h3-6H2,1-2H3,(H,10,11,13)
InChIKeySNJFHHQQXLVJQV-UHFFFAOYSA-N
XLogP1.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
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-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 645356) is 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOCC(=O)Nc1nnc(SCCOC)s1.
What is the InChIKey of 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SNJFHHQQXLVJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-3-15-6-7(13)10-8-11-12-9(17-8)16-5-4-14-2/h3-6H2,1-2H3,(H,10,11,13).
What are the key properties of 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 645356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).