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

C10H17N3O2S3 — CID 7692254

IUPAC2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCSc1nnc(SCC(=O)NCCCOC)s1
InChIInChI=1S/C10H17N3O2S3/c1-3-16-9-12-13-10(18-9)17-7-8(14)11-5-4-6-15-2/h3-7H2,1-2H3,(H,11,14)
InChIKeyMXFHMDXKBSNNKC-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.89
Rot. Bonds9

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

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 7692254) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID7692254
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCSc1nnc(SCC(=O)NCCCOC)s1
InChIInChI=1S/C10H17N3O2S3/c1-3-16-9-12-13-10(18-9)17-7-8(14)11-5-4-6-15-2/h3-7H2,1-2H3,(H,11,14)
InChIKeyMXFHMDXKBSNNKC-UHFFFAOYSA-N
XLogP1.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.89
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-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide (CID 7692254) is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide is CCSc1nnc(SCC(=O)NCCCOC)s1.
What is the InChIKey of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is MXFHMDXKBSNNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-3-16-9-12-13-10(18-9)17-7-8(14)11-5-4-6-15-2/h3-7H2,1-2H3,(H,11,14).
What are the key properties of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 307.47 g/mol, XLogP of 1.89, 9 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 7692254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).