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

C12H22N4O2S — CID 10039646

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide
SMILESCCCCc1nnc(NC(=O)COCCN(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-4-5-6-11-14-15-12(19-11)13-10(17)9-18-8-7-16(2)3/h4-9H2,1-3H3,(H,13,15,17)
InChIKeyBAYVSSJGHLCLHN-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.40
Rot. Bonds9

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide (PubChem CID 10039646) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide
PubChem CID10039646
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide
SMILESCCCCc1nnc(NC(=O)COCCN(C)C)s1
InChIInChI=1S/C12H22N4O2S/c1-4-5-6-11-14-15-12(19-11)13-10(17)9-18-8-7-16(2)3/h4-9H2,1-3H3,(H,13,15,17)
InChIKeyBAYVSSJGHLCLHN-UHFFFAOYSA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.40
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 N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide (CID 10039646) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide is CCCCc1nnc(NC(=O)COCCN(C)C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide?
The InChIKey is BAYVSSJGHLCLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-5-6-11-14-15-12(19-11)13-10(17)9-18-8-7-16(2)3/h4-9H2,1-3H3,(H,13,15,17).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide has a molecular weight of 286.40 g/mol, XLogP of 1.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(dimethylamino)ethoxy]acetamide is sourced from PubChem (CID 10039646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).