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

C14H26N4O2S — CID 10380942

IUPAC2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(CC)CCOCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)7-8-20-10-12(19)15-14-17-16-13(21-14)9-11(3)4/h11H,5-10H2,1-4H3,(H,15,17,19)
InChIKeyFZRJDGSFXHYPTC-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.03
Rot. Bonds10

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

2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 10380942) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID10380942
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCN(CC)CCOCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-5-18(6-2)7-8-20-10-12(19)15-14-17-16-13(21-14)9-11(3)4/h11H,5-10H2,1-4H3,(H,15,17,19)
InChIKeyFZRJDGSFXHYPTC-UHFFFAOYSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.03
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-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 10380942) is 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CCN(CC)CCOCC(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FZRJDGSFXHYPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-18(6-2)7-8-20-10-12(19)15-14-17-16-13(21-14)9-11(3)4/h11H,5-10H2,1-4H3,(H,15,17,19).
What are the key properties of 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 314.46 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 10380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).