2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C12H22N4O2S — CID 11778768

IUPAC2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COCCN(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-9(2)7-11-14-15-12(19-11)13-10(17)8-18-6-5-16(3)4/h9H,5-8H2,1-4H3,(H,13,15,17)
InChIKeyDZWZTKXANJHYMJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.25
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 11778768) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID11778768
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)COCCN(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-9(2)7-11-14-15-12(19-11)13-10(17)8-18-6-5-16(3)4/h9H,5-8H2,1-4H3,(H,13,15,17)
InChIKeyDZWZTKXANJHYMJ-UHFFFAOYSA-N
XLogP1.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 11778768) is 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)COCCN(C)C)s1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DZWZTKXANJHYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)7-11-14-15-12(19-11)13-10(17)8-18-6-5-16(3)4/h9H,5-8H2,1-4H3,(H,13,15,17).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 286.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 11778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).