3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one

C8H11NO2S — CID 130913906

IUPAC3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCOC1
InChIInChI=1S/C8H11NO2S/c10-8-9(2-4-12-8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2
InChIKeyMLLLTCWRPJNFKS-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.95
Rot. Bonds2

About 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one

3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one (PubChem CID 130913906) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one
PubChem CID130913906
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CCOC1
InChIInChI=1S/C8H11NO2S/c10-8-9(2-4-12-8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2
InChIKeyMLLLTCWRPJNFKS-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-(Oxan-4-ylmethyl)-1,3-thiazol-2-one
CID 115659277
3-(4-Methoxybutyl)-1,3-thiazol-2-one
CID 115749775

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one (CID 130913906) is 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one is O=c1sccn1CC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is MLLLTCWRPJNFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8-9(2-4-12-8)5-7-1-3-11-6-7/h2,4,7H,1,3,5-6H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-1,3-thiazol-2-one?
3-(oxolan-3-ylmethyl)-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-(oxolan-3-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 130913906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).