1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C12H18N2OS — CID 53016829

IUPAC1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCc1csc(C2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C12H18N2OS/c1-3-11-8-16-12(13-11)10-5-4-6-14(7-10)9(2)15/h8,10H,3-7H2,1-2H3
InChIKeyUTZAYIJBINQWGM-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.43
Rot. Bonds2

About 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 53016829) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID53016829
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCCc1csc(C2CCCN(C(C)=O)C2)n1
InChIInChI=1S/C12H18N2OS/c1-3-11-8-16-12(13-11)10-5-4-6-14(7-10)9(2)15/h8,10H,3-7H2,1-2H3
InChIKeyUTZAYIJBINQWGM-UHFFFAOYSA-N
XLogP2.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 53016829) is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CCc1csc(C2CCCN(C(C)=O)C2)n1.
What is the InChIKey of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UTZAYIJBINQWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-11-8-16-12(13-11)10-5-4-6-14(7-10)9(2)15/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53016829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).