1-(1,3-thiazol-4-ylmethyl)piperidin-4-one

C9H12N2OS — CID 28782292

IUPAC1-(1,3-thiazol-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C9H12N2OS/c12-9-1-3-11(4-2-9)5-8-6-13-7-10-8/h6-7H,1-5H2
InChIKeyRIXYMHMADJTMEB-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.31
Rot. Bonds2

About 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one

1-(1,3-thiazol-4-ylmethyl)piperidin-4-one (PubChem CID 28782292) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)piperidin-4-one
PubChem CID28782292
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(1,3-thiazol-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C9H12N2OS/c12-9-1-3-11(4-2-9)5-8-6-13-7-10-8/h6-7H,1-5H2
InChIKeyRIXYMHMADJTMEB-UHFFFAOYSA-N
XLogP1.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one (CID 28782292) is 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one is O=C1CCN(Cc2cscn2)CC1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one?
The InChIKey is RIXYMHMADJTMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9-1-3-11(4-2-9)5-8-6-13-7-10-8/h6-7H,1-5H2.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one?
1-(1,3-thiazol-4-ylmethyl)piperidin-4-one has a molecular weight of 196.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)piperidin-4-one is sourced from PubChem (CID 28782292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).