4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine

C11H22N4OS — CID 62182823

IUPAC4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(CCOC)CC(C)C
InChIInChI=1S/C11H22N4OS/c1-9(2)7-15(5-6-16-4)8-10-11(12-3)17-14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyNGZICNPIRGSHPT-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.68
Rot. Bonds8

About 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62182823) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62182823
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(CCOC)CC(C)C
InChIInChI=1S/C11H22N4OS/c1-9(2)7-15(5-6-16-4)8-10-11(12-3)17-14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyNGZICNPIRGSHPT-UHFFFAOYSA-N
XLogP1.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62182823) is 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(CCOC)CC(C)C.
What is the InChIKey of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is NGZICNPIRGSHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-9(2)7-15(5-6-16-4)8-10-11(12-3)17-14-13-10/h9,12H,5-8H2,1-4H3.
What are the key properties of 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 258.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62182823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).