1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

C13H22N4OS — CID 71277803

IUPAC1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1C(C)C(C)N(c2nc(C)ns2)C(C)C1C
InChIInChI=1S/C13H22N4OS/c1-7-9(3)17(13-14-11(5)15-19-13)10(4)8(2)16(7)12(6)18/h7-10H,1-6H3
InChIKeyYHCAHUJVEHQJOZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.07
Rot. Bonds1

About 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone

1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 71277803) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
PubChem CID71277803
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1C(C)C(C)N(c2nc(C)ns2)C(C)C1C
InChIInChI=1S/C13H22N4OS/c1-7-9(3)17(13-14-11(5)15-19-13)10(4)8(2)16(7)12(6)18/h7-10H,1-6H3
InChIKeyYHCAHUJVEHQJOZ-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone (CID 71277803) is 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is CC(=O)N1C(C)C(C)N(c2nc(C)ns2)C(C)C1C.
What is the InChIKey of 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is YHCAHUJVEHQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-7-9(3)17(13-14-11(5)15-19-13)10(4)8(2)16(7)12(6)18/h7-10H,1-6H3.
What are the key properties of 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone?
1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 282.41 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).