2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C13H24N4OS — CID 3076722

IUPAC2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-8-17(9-7-5-2)10-12(18)14-13-16-15-11(3)19-13/h4-10H2,1-3H3,(H,14,16,18)
InChIKeyPUXUJIUMCDMLPO-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.69
Rot. Bonds9

About 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3076722) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3076722
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(CCCC)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-8-17(9-7-5-2)10-12(18)14-13-16-15-11(3)19-13/h4-10H2,1-3H3,(H,14,16,18)
InChIKeyPUXUJIUMCDMLPO-UHFFFAOYSA-N
XLogP2.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)ethanediamide
CID 1860900
Acetamide, 2-(dimethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 1091545
1-Piperidineacetamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 787680
Acetamide, 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 1091546
2-(4-Methyl-piperazin-1-yl)-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 2960408
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-propyl-1-piperazinyl)acetamide
CID 6465732
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6465949
2-(4-ethylpiperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6467563
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6467632
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 2039148
Acetamide, 2-(diethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
CID 2301583
Acetamide, 2-(dimethylamino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-
CID 3076716

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3076722) is 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCN(CCCC)CC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PUXUJIUMCDMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-6-8-17(9-7-5-2)10-12(18)14-13-16-15-11(3)19-13/h4-10H2,1-3H3,(H,14,16,18).
What are the key properties of 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 284.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3076722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).