4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one

C9H14N2OS — CID 116966136

IUPAC4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCC(c2csc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyLHJVEPPVBMVUNI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.25
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one

4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966136) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one
PubChem CID116966136
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCC(c2csc(=O)[nH]2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyLHJVEPPVBMVUNI-UHFFFAOYSA-N
XLogP1.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one (CID 116966136) is 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one is CN1CCC(c2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one?
The InChIKey is LHJVEPPVBMVUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12).
What are the key properties of 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one?
4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).