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

C11H16N2OS — CID 115088763

IUPAC1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CC2CCCCN2)n1
InChIInChI=1S/C11H16N2OS/c1-8(14)10-7-15-11(13-10)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3
InChIKeyGSWULXWCMJSAPC-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.03
Rot. Bonds3

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

1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 115088763) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID115088763
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CC2CCCCN2)n1
InChIInChI=1S/C11H16N2OS/c1-8(14)10-7-15-11(13-10)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3
InChIKeyGSWULXWCMJSAPC-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088645
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
1-[5-(piperidin-2-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115094175
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 115088622
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-[2-(piperidine-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374029
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone (CID 115088763) is 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CC2CCCCN2)n1.
What is the InChIKey of 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is GSWULXWCMJSAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)10-7-15-11(13-10)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 224.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 115088763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).