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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Related Compounds

5-(4-Morpholinylmethyl)-1,3,4-thiadiazol-2-ylamine
CID 22397179
N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
CID 65208342
N'-(2-methoxyethyl)-N'-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
CID 65209611
5-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021672
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 79021703
5-[[Bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 79021831
2-[4-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79021905
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606206
5-[(2,2-Dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606280
2-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 80606307
5-[[2-Methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606311
5-[(2-Methyl-1,4-oxazepan-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606324

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).