2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine

C8H15N3OS — CID 75500011

IUPAC2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1csnn1
InChIInChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)6-8-7-13-10-9-8/h7H,3-6H2,1-2H3
InChIKeyAQEFEBUBPNTISB-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.01
Rot. Bonds6

About 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine

2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 75500011) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID75500011
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1csnn1
InChIInChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)6-8-7-13-10-9-8/h7H,3-6H2,1-2H3
InChIKeyAQEFEBUBPNTISB-UHFFFAOYSA-N
XLogP1.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
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 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 75500011) is 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine is CCOCCN(C)Cc1csnn1.
What is the InChIKey of 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is AQEFEBUBPNTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-3-12-5-4-11(2)6-8-7-13-10-9-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine?
2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 201.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 75500011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).