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

C11H19N3OS — CID 106381858

IUPAC4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)CCCNC1
InChIInChI=1S/C11H19N3OS/c1-11(3-2-4-12-7-11)8-13-5-9-6-16-10(15)14-9/h6,12-13H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyVARNKKNGYSKGDY-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.92
Rot. Bonds4

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

4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381858) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381858
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC1(CNCc2csc(=O)[nH]2)CCCNC1
InChIInChI=1S/C11H19N3OS/c1-11(3-2-4-12-7-11)8-13-5-9-6-16-10(15)14-9/h6,12-13H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyVARNKKNGYSKGDY-UHFFFAOYSA-N
XLogP0.92
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 103950587
4,4-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106379618
4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379669
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379682
4-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379683
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379689
4-[[(3,3-dimethylcyclopentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379699
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379817
4-[[(4,4-dimethylthian-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379847
4-[[(4,4-dimethylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379857
4-[(5-methylhexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379893

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381858) is 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CC1(CNCc2csc(=O)[nH]2)CCCNC1.
What is the InChIKey of 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VARNKKNGYSKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(3-2-4-12-7-11)8-13-5-9-6-16-10(15)14-9/h6,12-13H,2-5,7-8H2,1H3,(H,14,15).
What are the key properties of 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).