3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one

C12H20N2O2S — CID 51981066

IUPAC3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H20N2O2S/c1-9-8-17-12(15)14(9)5-4-13-6-10(2)16-11(3)7-13/h8,10-11H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyMHVALZNCIDVOBL-QWRGUYRKSA-N
MW256.37 g/mol
LogP1.33
Rot. Bonds3

About 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 51981066) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID51981066
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H20N2O2S/c1-9-8-17-12(15)14(9)5-4-13-6-10(2)16-11(3)7-13/h8,10-11H,4-7H2,1-3H3/t10-,11-/m0/s1
InChIKeyMHVALZNCIDVOBL-QWRGUYRKSA-N
XLogP1.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one (CID 51981066) is 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is MHVALZNCIDVOBL-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-8-17-12(15)14(9)5-4-13-6-10(2)16-11(3)7-13/h8,10-11H,4-7H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 256.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 51981066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).