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

C12H18N2OS — CID 63844937

IUPAC1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cnc(C)s2)C1
InChIInChI=1S/C12H18N2OS/c1-9(15)11-4-3-5-14(7-11)8-12-6-13-10(2)16-12/h6,11H,3-5,7-8H2,1-2H3
InChIKeyHIMMRZIPVNVJTI-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.25
Rot. Bonds3

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

1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone (PubChem CID 63844937) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone
PubChem CID63844937
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(Cc2cnc(C)s2)C1
InChIInChI=1S/C12H18N2OS/c1-9(15)11-4-3-5-14(7-11)8-12-6-13-10(2)16-12/h6,11H,3-5,7-8H2,1-2H3
InChIKeyHIMMRZIPVNVJTI-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone (CID 63844937) is 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(Cc2cnc(C)s2)C1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone?
The InChIKey is HIMMRZIPVNVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(15)11-4-3-5-14(7-11)8-12-6-13-10(2)16-12/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone?
1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 63844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).