3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one

C9H12N2OS — CID 82399414

IUPAC3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one
SMILESCc1scnc1C1CNCCC1=O
InChIInChI=1S/C9H12N2OS/c1-6-9(11-5-13-6)7-4-10-3-2-8(7)12/h5,7,10H,2-4H2,1H3
InChIKeyJUMJHNHJZKVHLZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.10
Rot. Bonds1

About 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one

3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one (PubChem CID 82399414) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one
PubChem CID82399414
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one
SMILESCc1scnc1C1CNCCC1=O
InChIInChI=1S/C9H12N2OS/c1-6-9(11-5-13-6)7-4-10-3-2-8(7)12/h5,7,10H,2-4H2,1H3
InChIKeyJUMJHNHJZKVHLZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one?
The IUPAC name of 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one (CID 82399414) is 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one is Cc1scnc1C1CNCCC1=O.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one?
The InChIKey is JUMJHNHJZKVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-9(11-5-13-6)7-4-10-3-2-8(7)12/h5,7,10H,2-4H2,1H3.
What are the key properties of 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one?
3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one has a molecular weight of 196.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-4-yl)piperidin-4-one is sourced from PubChem (CID 82399414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).