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

C11H22N4O2S — CID 80606206

IUPAC5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CCOC)C(C)COC)s1
InChIInChI=1S/C11H22N4O2S/c1-9(8-17-4)15(5-6-16-3)7-10-13-14-11(12-2)18-10/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyAIZBZAHDNGXTPP-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.06
Rot. Bonds9

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

5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606206) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80606206
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(CCOC)C(C)COC)s1
InChIInChI=1S/C11H22N4O2S/c1-9(8-17-4)15(5-6-16-3)7-10-13-14-11(12-2)18-10/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyAIZBZAHDNGXTPP-UHFFFAOYSA-N
XLogP1.06
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80606206) is 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(CCOC)C(C)COC)s1.
What is the InChIKey of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AIZBZAHDNGXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9(8-17-4)15(5-6-16-3)7-10-13-14-11(12-2)18-10/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).