3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one

C8H11NO2S — CID 130694409

IUPAC3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one
SMILESCC1(Cn2ccsc2=O)COC1
InChIInChI=1S/C8H11NO2S/c1-8(5-11-6-8)4-9-2-3-12-7(9)10/h2-3H,4-6H2,1H3
InChIKeyVBSFMSZRXMNBSQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.95
Rot. Bonds2

About 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one

3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one (PubChem CID 130694409) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one
PubChem CID130694409
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one
SMILESCC1(Cn2ccsc2=O)COC1
InChIInChI=1S/C8H11NO2S/c1-8(5-11-6-8)4-9-2-3-12-7(9)10/h2-3H,4-6H2,1H3
InChIKeyVBSFMSZRXMNBSQ-UHFFFAOYSA-N
XLogP0.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-Methoxyethoxy)propyl]-1,3-thiazol-2-one
CID 103413341
3-(3-Ethoxypropyl)-1,3-thiazol-2-one
CID 115659292
3-(3-Methoxypropyl)-1,3-thiazol-2-one
CID 115736833

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one (CID 130694409) is 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one is CC1(Cn2ccsc2=O)COC1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one?
The InChIKey is VBSFMSZRXMNBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-8(5-11-6-8)4-9-2-3-12-7(9)10/h2-3H,4-6H2,1H3.
What are the key properties of 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one?
3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one has a molecular weight of 185.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxetan-3-yl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 130694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).