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

C11H19N3O2S — CID 114284477

IUPAC4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C11H19N3O2S/c1-16-11(2-4-12-5-3-11)8-13-6-9-7-17-10(15)14-9/h7,12-13H,2-6,8H2,1H3,(H,14,15)
InChIKeyQORHAHZQUNBCAX-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.29
Rot. Bonds5

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

4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114284477) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114284477
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOC1(CNCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C11H19N3O2S/c1-16-11(2-4-12-5-3-11)8-13-6-9-7-17-10(15)14-9/h7,12-13H,2-6,8H2,1H3,(H,14,15)
InChIKeyQORHAHZQUNBCAX-UHFFFAOYSA-N
XLogP0.29
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 114284477) is 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is COC1(CNCc2csc(=O)[nH]2)CCNCC1.
What is the InChIKey of 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QORHAHZQUNBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-16-11(2-4-12-5-3-11)8-13-6-9-7-17-10(15)14-9/h7,12-13H,2-6,8H2,1H3,(H,14,15).
What are the key properties of 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxypiperidin-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114284477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).