3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

C11H20N2O2S — CID 111336234

IUPAC3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)CC(C)(C)O
InChIInChI=1S/C11H20N2O2S/c1-9-7-16-10(14)13(9)6-5-12(4)8-11(2,3)15/h7,15H,5-6,8H2,1-4H3
InChIKeyLGCYNGNJVBFGAI-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.92
Rot. Bonds5

About 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 111336234) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID111336234
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)CC(C)(C)O
InChIInChI=1S/C11H20N2O2S/c1-9-7-16-10(14)13(9)6-5-12(4)8-11(2,3)15/h7,15H,5-6,8H2,1-4H3
InChIKeyLGCYNGNJVBFGAI-UHFFFAOYSA-N
XLogP0.92
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 111336234) is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN(C)CC(C)(C)O.
What is the InChIKey of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is LGCYNGNJVBFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9-7-16-10(14)13(9)6-5-12(4)8-11(2,3)15/h7,15H,5-6,8H2,1-4H3.
What are the key properties of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 244.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111336234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).