3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one

C9H13NO3S — CID 130993568

IUPAC3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1(CO)COC1
InChIInChI=1S/C9H13NO3S/c1-7-2-14-8(12)10(7)3-9(4-11)5-13-6-9/h2,11H,3-6H2,1H3
InChIKeyZDQGVOIQPGANBD-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.23
Rot. Bonds3

About 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one

3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 130993568) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID130993568
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC1(CO)COC1
InChIInChI=1S/C9H13NO3S/c1-7-2-14-8(12)10(7)3-9(4-11)5-13-6-9/h2,11H,3-6H2,1H3
InChIKeyZDQGVOIQPGANBD-UHFFFAOYSA-N
XLogP0.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43509712
3-(3-Hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 104318489
3-[2-[2,2-Dimethylpropyl(3-hydroxypropyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111107227
3-[2-[[3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl]-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 112355829
3-(3-Hydroxy-2-methylpropyl)-4-methyl-1,3-thiazol-2-one
CID 115871038
3-(3-Hydroxy-2,2-dimethylpropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 164652794

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one (CID 130993568) is 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC1(CO)COC1.
What is the InChIKey of 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is ZDQGVOIQPGANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-2-14-8(12)10(7)3-9(4-11)5-13-6-9/h2,11H,3-6H2,1H3.
What are the key properties of 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one?
3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 215.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 130993568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).