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

C13H20N2OS — CID 55257382

IUPAC1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
SMILESCCc1nc(CN2CCCCC2C(C)=O)cs1
InChIInChI=1S/C13H20N2OS/c1-3-13-14-11(9-17-13)8-15-7-5-4-6-12(15)10(2)16/h9,12H,3-8H2,1-2H3
InChIKeyOGQOJYFGPKFRDV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.65
Rot. Bonds4

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

1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone (PubChem CID 55257382) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
PubChem CID55257382
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone
SMILESCCc1nc(CN2CCCCC2C(C)=O)cs1
InChIInChI=1S/C13H20N2OS/c1-3-13-14-11(9-17-13)8-15-7-5-4-6-12(15)10(2)16/h9,12H,3-8H2,1-2H3
InChIKeyOGQOJYFGPKFRDV-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone (CID 55257382) is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone is CCc1nc(CN2CCCCC2C(C)=O)cs1.
What is the InChIKey of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
The InChIKey is OGQOJYFGPKFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-13-14-11(9-17-13)8-15-7-5-4-6-12(15)10(2)16/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone?
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanone is sourced from PubChem (CID 55257382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).