2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C12H21N3O3S — CID 11778819

IUPAC2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCOCCOCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H21N3O3S/c1-3-5-6-17-7-8-18-9-10(16)13-12-15-14-11(4-2)19-12/h3-9H2,1-2H3,(H,13,15,16)
InChIKeySESGUWJKSYWBOH-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.87
Rot. Bonds10

About 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 11778819) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID11778819
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCOCCOCC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C12H21N3O3S/c1-3-5-6-17-7-8-18-9-10(16)13-12-15-14-11(4-2)19-12/h3-9H2,1-2H3,(H,13,15,16)
InChIKeySESGUWJKSYWBOH-UHFFFAOYSA-N
XLogP1.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.87
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

4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55527934
N-[5-[2-[2-[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 3101008
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178155
2-butoxy-N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)acetamide
CID 86970715
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
2-dodecylsulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4597198
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
2-(3,5-dichlorophenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78767939
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24648096

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 11778819) is 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCOCCOCC(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is SESGUWJKSYWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-5-6-17-7-8-18-9-10(16)13-12-15-14-11(4-2)19-12/h3-9H2,1-2H3,(H,13,15,16).
What are the key properties of 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 11778819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).