3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol

C8H11NO2S — CID 112641806

IUPAC3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
SMILESOC1(Cc2cncs2)CCOC1
InChIInChI=1S/C8H11NO2S/c10-8(1-2-11-5-8)3-7-4-9-6-12-7/h4,6,10H,1-3,5H2
InChIKeyLJUWKONMQPBAOQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.84
Rot. Bonds2

About 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol

3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol (PubChem CID 112641806) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
PubChem CID112641806
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
SMILESOC1(Cc2cncs2)CCOC1
InChIInChI=1S/C8H11NO2S/c10-8(1-2-11-5-8)3-7-4-9-6-12-7/h4,6,10H,1-3,5H2
InChIKeyLJUWKONMQPBAOQ-UHFFFAOYSA-N
XLogP0.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol?
The IUPAC name of 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol (CID 112641806) is 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol?
The canonical SMILES for 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol is OC1(Cc2cncs2)CCOC1.
What is the InChIKey of 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol?
The InChIKey is LJUWKONMQPBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8(1-2-11-5-8)3-7-4-9-6-12-7/h4,6,10H,1-3,5H2.
What are the key properties of 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol?
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol has a molecular weight of 185.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 112641806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).