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

C11H16N2OS — CID 63280791

IUPAC2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
SMILESCc1ncsc1CN1CCC(=O)CC1C
InChIInChI=1S/C11H16N2OS/c1-8-5-10(14)3-4-13(8)6-11-9(2)12-7-15-11/h7-8H,3-6H2,1-2H3
InChIKeyLPVHMGDQPSPBKP-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one

2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one (PubChem CID 63280791) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
PubChem CID63280791
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
SMILESCc1ncsc1CN1CCC(=O)CC1C
InChIInChI=1S/C11H16N2OS/c1-8-5-10(14)3-4-13(8)6-11-9(2)12-7-15-11/h7-8H,3-6H2,1-2H3
InChIKeyLPVHMGDQPSPBKP-UHFFFAOYSA-N
XLogP2.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one (CID 63280791) is 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one is Cc1ncsc1CN1CCC(=O)CC1C.
What is the InChIKey of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The InChIKey is LPVHMGDQPSPBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-5-10(14)3-4-13(8)6-11-9(2)12-7-15-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one has a molecular weight of 224.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 63280791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).