1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone

C10H16N4OS — CID 141221004

IUPAC1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(c2nsc(N)n2)CC1
InChIInChI=1S/C10H16N4OS/c1-7(15)14-5-3-10(2,4-6-14)8-12-9(11)16-13-8/h3-6H2,1-2H3,(H2,11,12,13)
InChIKeyNXZFVWOYMYCINO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.02
Rot. Bonds1

About 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone

1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone (PubChem CID 141221004) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone
PubChem CID141221004
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C)(c2nsc(N)n2)CC1
InChIInChI=1S/C10H16N4OS/c1-7(15)14-5-3-10(2,4-6-14)8-12-9(11)16-13-8/h3-6H2,1-2H3,(H2,11,12,13)
InChIKeyNXZFVWOYMYCINO-UHFFFAOYSA-N
XLogP1.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone (CID 141221004) is 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone is CC(=O)N1CCC(C)(c2nsc(N)n2)CC1.
What is the InChIKey of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone?
The InChIKey is NXZFVWOYMYCINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(15)14-5-3-10(2,4-6-14)8-12-9(11)16-13-8/h3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone?
1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 141221004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).