1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone

C13H20N2O2S — CID 82441861

IUPAC1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(N2CCCCC2C)sc1C(C)=O
InChIInChI=1S/C13H20N2O2S/c1-9-6-4-5-7-15(9)13-14-11(8-17-3)12(18-13)10(2)16/h9H,4-8H2,1-3H3
InChIKeyVSMLISYFCIHLOU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone

1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 82441861) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID82441861
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCOCc1nc(N2CCCCC2C)sc1C(C)=O
InChIInChI=1S/C13H20N2O2S/c1-9-6-4-5-7-15(9)13-14-11(8-17-3)12(18-13)10(2)16/h9H,4-8H2,1-3H3
InChIKeyVSMLISYFCIHLOU-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone (CID 82441861) is 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone is COCc1nc(N2CCCCC2C)sc1C(C)=O.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is VSMLISYFCIHLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-6-4-5-7-15(9)13-14-11(8-17-3)12(18-13)10(2)16/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82441861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).