3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

C13H16N2O2S — CID 86788162

IUPAC3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOc1cccc(Cn2c(C)c(C)sc2=O)n1
InChIInChI=1S/C13H16N2O2S/c1-4-17-12-7-5-6-11(14-12)8-15-9(2)10(3)18-13(15)16/h5-7H,4,8H2,1-3H3
InChIKeyXXOFFTOFOWCZCH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.37
Rot. Bonds4

About 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 86788162) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID86788162
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCCOc1cccc(Cn2c(C)c(C)sc2=O)n1
InChIInChI=1S/C13H16N2O2S/c1-4-17-12-7-5-6-11(14-12)8-15-9(2)10(3)18-13(15)16/h5-7H,4,8H2,1-3H3
InChIKeyXXOFFTOFOWCZCH-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 86788162) is 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is CCOc1cccc(Cn2c(C)c(C)sc2=O)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is XXOFFTOFOWCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-17-12-7-5-6-11(14-12)8-15-9(2)10(3)18-13(15)16/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 264.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 86788162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).