2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide

C11H21N5O2S — CID 80606499

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCNc1nnc(CN(C)CC(=O)NCCOC)s1
InChIInChI=1S/C11H21N5O2S/c1-4-12-11-15-14-10(19-11)8-16(2)7-9(17)13-5-6-18-3/h4-8H2,1-3H3,(H,12,15)(H,13,17)
InChIKeyGMZPYLZCHFWEQX-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.16
Rot. Bonds9

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80606499) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80606499
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCCNc1nnc(CN(C)CC(=O)NCCOC)s1
InChIInChI=1S/C11H21N5O2S/c1-4-12-11-15-14-10(19-11)8-16(2)7-9(17)13-5-6-18-3/h4-8H2,1-3H3,(H,12,15)(H,13,17)
InChIKeyGMZPYLZCHFWEQX-UHFFFAOYSA-N
XLogP0.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 80606499) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide is CCNc1nnc(CN(C)CC(=O)NCCOC)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is GMZPYLZCHFWEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-12-11-15-14-10(19-11)8-16(2)7-9(17)13-5-6-18-3/h4-8H2,1-3H3,(H,12,15)(H,13,17).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80606499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).