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

C10H14N2OS — CID 63281156

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
SMILESCc1ncsc1CN1CCC(=O)CC1
InChIInChI=1S/C10H14N2OS/c1-8-10(14-7-11-8)6-12-4-2-9(13)3-5-12/h7H,2-6H2,1H3
InChIKeyHCWOZAFYIBOEAK-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.62
Rot. Bonds2

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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one (PubChem CID 63281156) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
PubChem CID63281156
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one
SMILESCc1ncsc1CN1CCC(=O)CC1
InChIInChI=1S/C10H14N2OS/c1-8-10(14-7-11-8)6-12-4-2-9(13)3-5-12/h7H,2-6H2,1H3
InChIKeyHCWOZAFYIBOEAK-UHFFFAOYSA-N
XLogP1.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one (CID 63281156) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one is Cc1ncsc1CN1CCC(=O)CC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
The InChIKey is HCWOZAFYIBOEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-10(14-7-11-8)6-12-4-2-9(13)3-5-12/h7H,2-6H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one has a molecular weight of 210.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 63281156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).