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

C12H20N4OS — CID 3072297

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCCCC2C)s1
InChIInChI=1S/C12H20N4OS/c1-3-11-14-15-12(18-11)13-10(17)8-16-7-5-4-6-9(16)2/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyYVIBORJHYFJLAS-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.91
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 3072297) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID3072297
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2CCCCC2C)s1
InChIInChI=1S/C12H20N4OS/c1-3-11-14-15-12(18-11)13-10(17)8-16-7-5-4-6-9(16)2/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyYVIBORJHYFJLAS-UHFFFAOYSA-N
XLogP1.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide (CID 3072297) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide is CCc1nnc(NC(=O)CN2CCCCC2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is YVIBORJHYFJLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-11-14-15-12(18-11)13-10(17)8-16-7-5-4-6-9(16)2/h9H,3-8H2,1-2H3,(H,13,15,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3072297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).