4-methyl-1,3-thiazole;piperidin-2-one

C9H14N2OS — CID 69053856

IUPAC4-methyl-1,3-thiazole;piperidin-2-one
SMILESCc1cscn1.O=C1CCCCN1
InChIInChI=1S/C5H9NO.C4H5NS/c7-5-3-1-2-4-6-5;1-4-2-6-3-5-4/h1-4H2,(H,6,7);2-3H,1H3
InChIKeyIAUHVIWCKFGGEZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.74
Rot. Bonds

About 4-methyl-1,3-thiazole;piperidin-2-one

4-methyl-1,3-thiazole;piperidin-2-one (PubChem CID 69053856) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole;piperidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-thiazole;piperidin-2-one
PubChem CID69053856
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-methyl-1,3-thiazole;piperidin-2-one
SMILESCc1cscn1.O=C1CCCCN1
InChIInChI=1S/C5H9NO.C4H5NS/c7-5-3-1-2-4-6-5;1-4-2-6-3-5-4/h1-4H2,(H,6,7);2-3H,1H3
InChIKeyIAUHVIWCKFGGEZ-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole;piperidin-2-one?
The IUPAC name of 4-methyl-1,3-thiazole;piperidin-2-one (CID 69053856) is 4-methyl-1,3-thiazole;piperidin-2-one.
What is the SMILES notation for 4-methyl-1,3-thiazole;piperidin-2-one?
The canonical SMILES for 4-methyl-1,3-thiazole;piperidin-2-one is Cc1cscn1.O=C1CCCCN1.
What is the InChIKey of 4-methyl-1,3-thiazole;piperidin-2-one?
The InChIKey is IAUHVIWCKFGGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H5NS/c7-5-3-1-2-4-6-5;1-4-2-6-3-5-4/h1-4H2,(H,6,7);2-3H,1H3.
What are the key properties of 4-methyl-1,3-thiazole;piperidin-2-one?
4-methyl-1,3-thiazole;piperidin-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole;piperidin-2-one is sourced from PubChem (CID 69053856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).