N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine

C11H21N3O2S — CID 80624275

IUPACN-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C11H21N3O2S/c1-5-15-6-7-16-10-14-13-9(17-10)8-12-11(2,3)4/h12H,5-8H2,1-4H3
InChIKeyRHHJHGYJNNEYMW-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.84
Rot. Bonds7

About N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80624275) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80624275
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCOCCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C11H21N3O2S/c1-5-15-6-7-16-10-14-13-9(17-10)8-12-11(2,3)4/h12H,5-8H2,1-4H3
InChIKeyRHHJHGYJNNEYMW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106667586
1-[5-(2-butoxyethoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80624285
N-[[5-(2-propoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 80619952
2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619924
2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623770
(2S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901364
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 80623515

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 80624275) is N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine is CCOCCOc1nnc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RHHJHGYJNNEYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-15-6-7-16-10-14-13-9(17-10)8-12-11(2,3)4/h12H,5-8H2,1-4H3.
What are the key properties of N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 259.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80624275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).