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

C8H15N3OS2 — CID 62577670

IUPAC3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCOCCCNCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-12-5-2-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3
InChIKeyFHXLMLRGRJWYOV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.26
Rot. Bonds8

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

3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 62577670) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID62577670
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCOCCCNCCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-12-5-2-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3
InChIKeyFHXLMLRGRJWYOV-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine (CID 62577670) is 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is COCCCNCCSc1nncs1.
What is the InChIKey of 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is FHXLMLRGRJWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-12-5-2-3-9-4-6-13-8-11-10-7-14-8/h7,9H,2-6H2,1H3.
What are the key properties of 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine?
3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine 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 3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 62577670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).