2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol

C9H13NO2S — CID 82718023

IUPAC2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
SMILESCC1OCCC1(O)Cc1nccs1
InChIInChI=1S/C9H13NO2S/c1-7-9(11,2-4-12-7)6-8-10-3-5-13-8/h3,5,7,11H,2,4,6H2,1H3
InChIKeyMDEMDIGSIQHDFW-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol

2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol (PubChem CID 82718023) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
PubChem CID82718023
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol
SMILESCC1OCCC1(O)Cc1nccs1
InChIInChI=1S/C9H13NO2S/c1-7-9(11,2-4-12-7)6-8-10-3-5-13-8/h3,5,7,11H,2,4,6H2,1H3
InChIKeyMDEMDIGSIQHDFW-UHFFFAOYSA-N
XLogP1.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol (CID 82718023) is 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol is CC1OCCC1(O)Cc1nccs1.
What is the InChIKey of 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
The InChIKey is MDEMDIGSIQHDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-9(11,2-4-12-7)6-8-10-3-5-13-8/h3,5,7,11H,2,4,6H2,1H3.
What are the key properties of 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol?
2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol has a molecular weight of 199.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 82718023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).