2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C11H20N4OS — CID 3072294

IUPAC2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(C)CC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C11H20N4OS/c1-4-6-7-15(3)8-9(16)12-11-14-13-10(5-2)17-11/h4-8H2,1-3H3,(H,12,14,16)
InChIKeyPQCCIWPWDMDGBG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.77
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3072294) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3072294
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCN(C)CC(=O)Nc1nnc(CC)s1
InChIInChI=1S/C11H20N4OS/c1-4-6-7-15(3)8-9(16)12-11-14-13-10(5-2)17-11/h4-8H2,1-3H3,(H,12,14,16)
InChIKeyPQCCIWPWDMDGBG-UHFFFAOYSA-N
XLogP1.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 3072294) is 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCN(C)CC(=O)Nc1nnc(CC)s1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is PQCCIWPWDMDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-6-7-15(3)8-9(16)12-11-14-13-10(5-2)17-11/h4-8H2,1-3H3,(H,12,14,16).
What are the key properties of 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3072294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).