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

C9H14N2OS — CID 116966137

IUPAC4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCCC(c2csc(=O)[nH]2)C1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-3-7(5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyHTITYCRMDKDOPK-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.25
Rot. Bonds1

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

4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966137) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one
PubChem CID116966137
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one
SMILESCN1CCCC(c2csc(=O)[nH]2)C1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-3-7(5-11)8-6-13-9(12)10-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyHTITYCRMDKDOPK-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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Related Compounds

4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one
CID 19018568
2,3-dimethyl-4-piperidin-3-yl-2H-1,3-thiazole;methanamine
CID 143328727
4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275
4-Methyl-3-(piperidin-4-ylmethyl)-1,3-thiazol-2-one
CID 61683922
4-Methyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
CID 62356701
2-Hydroxy-4-(piperidin-4-yl)thiazole
CID 82655340
4-(2-amino-3-methylbutyl)-3H-1,3-thiazol-2-one
CID 103113127
4-(1-aminopentan-2-yl)-3H-1,3-thiazol-2-one
CID 103113128
4-Methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one
CID 105061137
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379689
4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379925
4-[[3-methyl-4-(methylamino)piperidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106381553

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one (CID 116966137) is 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one is CN1CCCC(c2csc(=O)[nH]2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is HTITYCRMDKDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-4-2-3-7(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-3-yl)-3H-1,3-thiazol-2-one?
4-(1-methylpiperidin-3-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-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).