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

C8H15N3OS2 — CID 62578532

IUPAC2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCCOCCNCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-2-12-5-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3
InChIKeyBYVRUJCURTUAQK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.26
Rot. Bonds8

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

2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 62578532) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
PubChem CID62578532
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
SMILESCCOCCNCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-2-12-5-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3
InChIKeyBYVRUJCURTUAQK-UHFFFAOYSA-N
XLogP1.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.26
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-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8302613
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
3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62576848
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
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
4-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 62578954
2-butoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62579168

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine (CID 62578532) is 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is CCOCCNCCSc1nncs1.
What is the InChIKey of 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is BYVRUJCURTUAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-2-12-5-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine?
2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62578532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).