2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone

C15H24N4OS — CID 128877136

IUPAC2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(c1nccs1)N1CCN(C(=O)C(N)C2CCC2)CC1
InChIInChI=1S/C15H24N4OS/c1-11(14-17-5-10-21-14)18-6-8-19(9-7-18)15(20)13(16)12-3-2-4-12/h5,10-13H,2-4,6-9,16H2,1H3
InChIKeyOHUYDTNGJYPYCI-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone

2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 128877136) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID128877136
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(c1nccs1)N1CCN(C(=O)C(N)C2CCC2)CC1
InChIInChI=1S/C15H24N4OS/c1-11(14-17-5-10-21-14)18-6-8-19(9-7-18)15(20)13(16)12-3-2-4-12/h5,10-13H,2-4,6-9,16H2,1H3
InChIKeyOHUYDTNGJYPYCI-UHFFFAOYSA-N
XLogP1.48
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 128877136) is 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone is CC(c1nccs1)N1CCN(C(=O)C(N)C2CCC2)CC1.
What is the InChIKey of 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is OHUYDTNGJYPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11(14-17-5-10-21-14)18-6-8-19(9-7-18)15(20)13(16)12-3-2-4-12/h5,10-13H,2-4,6-9,16H2,1H3.
What are the key properties of 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 308.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclobutyl-1-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 128877136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).