3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine

C9H17N3O2S — CID 43664072

IUPAC3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1csnn1
InChIInChI=1S/C9H17N3O2S/c1-13-5-6-14-4-2-3-10-7-9-8-15-12-11-9/h8,10H,2-7H2,1H3
InChIKeyGBYIEGOJZOZMMX-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.68
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664072) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664072
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOCCOCCCNCc1csnn1
InChIInChI=1S/C9H17N3O2S/c1-13-5-6-14-4-2-3-10-7-9-8-15-12-11-9/h8,10H,2-7H2,1H3
InChIKeyGBYIEGOJZOZMMX-UHFFFAOYSA-N
XLogP0.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.68
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-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664072) is 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is COCCOCCCNCc1csnn1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is GBYIEGOJZOZMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-13-5-6-14-4-2-3-10-7-9-8-15-12-11-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 231.32 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).