1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone

C12H18N2OS — CID 82117125

IUPAC1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCCC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-9-12(10(2)15)16-11(13-9)8-14-6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyMNWJSTKGOAQWQP-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.64
Rot. Bonds3

About 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82117125) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID82117125
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCCC2)nc1C
InChIInChI=1S/C12H18N2OS/c1-9-12(10(2)15)16-11(13-9)8-14-6-4-3-5-7-14/h3-8H2,1-2H3
InChIKeyMNWJSTKGOAQWQP-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone (CID 82117125) is 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CN2CCCCC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is MNWJSTKGOAQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-12(10(2)15)16-11(13-9)8-14-6-4-3-5-7-14/h3-8H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82117125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).