5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

C9H18N4OS — CID 80608332

IUPAC5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCOCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4OS/c1-3-13(5-6-14-4-2)7-8-11-12-9(10)15-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyGLUZBZVIIPNQHS-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.98
Rot. Bonds7

About 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608332) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608332
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCOCCN(CC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4OS/c1-3-13(5-6-14-4-2)7-8-11-12-9(10)15-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyGLUZBZVIIPNQHS-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.98
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 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80608332) is 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCOCCN(CC)Cc1nnc(N)s1.
What is the InChIKey of 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GLUZBZVIIPNQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-3-13(5-6-14-4-2)7-8-11-12-9(10)15-8/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).