1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

C14H23N3O2S — CID 60982517

IUPAC1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ncc(CNC2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-13-16-9-12(20-13)8-15-11-4-6-17(7-5-11)14(18)10-19-2/h9,11,15H,3-8,10H2,1-2H3
InChIKeyLGWZBGQYPJRAIZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.43
Rot. Bonds6

About 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 60982517) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
PubChem CID60982517
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1ncc(CNC2CCN(C(=O)COC)CC2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-13-16-9-12(20-13)8-15-11-4-6-17(7-5-11)14(18)10-19-2/h9,11,15H,3-8,10H2,1-2H3
InChIKeyLGWZBGQYPJRAIZ-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (CID 60982517) is 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is CCc1ncc(CNC2CCN(C(=O)COC)CC2)s1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is LGWZBGQYPJRAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-13-16-9-12(20-13)8-15-11-4-6-17(7-5-11)14(18)10-19-2/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 297.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 60982517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).