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

C8H16N4OS — CID 80607024

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-3-12(4-5-13-2)6-7-10-11-8(9)14-7/h3-6H2,1-2H3,(H2,9,11)
InChIKeyDJPOWJJSMBJKIA-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.59
Rot. Bonds6

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

5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607024) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607024
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C8H16N4OS/c1-3-12(4-5-13-2)6-7-10-11-8(9)14-7/h3-6H2,1-2H3,(H2,9,11)
InChIKeyDJPOWJJSMBJKIA-UHFFFAOYSA-N
XLogP0.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607024) is 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCN(CCOC)Cc1nnc(N)s1.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DJPOWJJSMBJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-3-12(4-5-13-2)6-7-10-11-8(9)14-7/h3-6H2,1-2H3,(H2,9,11).
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).