3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine

C8H15N3OS — CID 43663937

IUPAC3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCCOCCCNCc1csnn1
InChIInChI=1S/C8H15N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h7,9H,2-6H2,1H3
InChIKeyVSEYGNKXKWSZCS-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.05
Rot. Bonds7

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

3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43663937) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43663937
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCCOCCCNCc1csnn1
InChIInChI=1S/C8H15N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h7,9H,2-6H2,1H3
InChIKeyVSEYGNKXKWSZCS-UHFFFAOYSA-N
XLogP1.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43663937) is 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is CCOCCCNCc1csnn1.
What is the InChIKey of 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is VSEYGNKXKWSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-12-5-3-4-9-6-8-7-13-11-10-8/h7,9H,2-6H2,1H3.
What are the key properties of 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 201.29 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43663937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).