4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C11H19N3OS — CID 106379689

IUPAC4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN1CCCC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H19N3OS/c1-14-4-2-3-9(7-14)5-12-6-10-8-16-11(15)13-10/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeyGEUXYBVEWJPGQX-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.87
Rot. Bonds4

About 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379689) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379689
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCN1CCCC(CNCc2csc(=O)[nH]2)C1
InChIInChI=1S/C11H19N3OS/c1-14-4-2-3-9(7-14)5-12-6-10-8-16-11(15)13-10/h8-9,12H,2-7H2,1H3,(H,13,15)
InChIKeyGEUXYBVEWJPGQX-UHFFFAOYSA-N
XLogP0.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380292
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 45823701
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 51115786
2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide
CID 51116332
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 52210813
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 52210815
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 52210817
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248049
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248051
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
CID 53498283
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56001380
4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106379689) is 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CN1CCCC(CNCc2csc(=O)[nH]2)C1.
What is the InChIKey of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GEUXYBVEWJPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14-4-2-3-9(7-14)5-12-6-10-8-16-11(15)13-10/h8-9,12H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).