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

C9H15N3O2S3 — CID 7692250

IUPAC2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCSc1nnc(SCC(=O)NCCOC)s1
InChIInChI=1S/C9H15N3O2S3/c1-3-15-8-11-12-9(17-8)16-6-7(13)10-4-5-14-2/h3-6H2,1-2H3,(H,10,13)
InChIKeyCUEFDMUEYVLOGS-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.50
Rot. Bonds8

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

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 7692250) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID7692250
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCSc1nnc(SCC(=O)NCCOC)s1
InChIInChI=1S/C9H15N3O2S3/c1-3-15-8-11-12-9(17-8)16-6-7(13)10-4-5-14-2/h3-6H2,1-2H3,(H,10,13)
InChIKeyCUEFDMUEYVLOGS-UHFFFAOYSA-N
XLogP1.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 7692250) is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is CCSc1nnc(SCC(=O)NCCOC)s1.
What is the InChIKey of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CUEFDMUEYVLOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-3-15-8-11-12-9(17-8)16-6-7(13)10-4-5-14-2/h3-6H2,1-2H3,(H,10,13).
What are the key properties of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7692250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).