3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

C9H17N3OS2 — CID 62576848

IUPAC3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCOCCCNCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-2-13-6-3-4-10-5-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3
InChIKeyFISOFUCXDGTGCY-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.65
Rot. Bonds9

About 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine

3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 62576848) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID62576848
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCCOCCCNCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-2-13-6-3-4-10-5-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3
InChIKeyFISOFUCXDGTGCY-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8302615
N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 47144916
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576844
N-(3-methoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577050
3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62577261
3-ethoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 62577408
N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577464
3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62577670
2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62577673
N-(2-methoxyethyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577886
N-(3-ethoxypropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62578490

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (CID 62576848) is 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is CCOCCCNCCSc1nncs1.
What is the InChIKey of 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is FISOFUCXDGTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-2-13-6-3-4-10-5-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 62576848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).