2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C11H21N3O2S — CID 112605807

IUPAC2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nnc(COC(C)(C)C)s1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)16-8-10-14-13-9(17-10)7-12-5-6-15-4/h12H,5-8H2,1-4H3
InChIKeyGPUBATZDURHSIG-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.59
Rot. Bonds7

About 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 112605807) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID112605807
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nnc(COC(C)(C)C)s1
InChIInChI=1S/C11H21N3O2S/c1-11(2,3)16-8-10-14-13-9(17-10)7-12-5-6-15-4/h12H,5-8H2,1-4H3
InChIKeyGPUBATZDURHSIG-UHFFFAOYSA-N
XLogP1.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.59
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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Related Compounds

2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
2-methoxy-N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 83136195
2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 102922976
5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608941
N-[[5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623506
2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
2-methoxy-N-[[5-(2-thiophen-2-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620130
N-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80620284
N-[[5-(5-bromo-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79996523
N-(2-methoxyethyl)-3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 112605790
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106894431
N-[[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79084228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 112605807) is 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine is COCCNCc1nnc(COC(C)(C)C)s1.
What is the InChIKey of 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is GPUBATZDURHSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-11(2,3)16-8-10-14-13-9(17-10)7-12-5-6-15-4/h12H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 112605807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).