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

C8H11NO2S — CID 130735017

IUPAC2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccsn1
InChIInChI=1S/C8H11NO2S/c1-6-8(10,3-4-11-6)7-2-5-12-9-7/h2,5-6,10H,3-4H2,1H3
InChIKeyXHRMFICPCSOQKX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.14
Rot. Bonds1

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

2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol (PubChem CID 130735017) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol
PubChem CID130735017
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)c1ccsn1
InChIInChI=1S/C8H11NO2S/c1-6-8(10,3-4-11-6)7-2-5-12-9-7/h2,5-6,10H,3-4H2,1H3
InChIKeyXHRMFICPCSOQKX-UHFFFAOYSA-N
XLogP1.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
3-(3-Methyl-1,2-thiazol-5-yl)oxolan-3-ol
CID 126985746
6-(1,2-Thiazol-3-yl)-1,4-dioxepan-6-ol
CID 126985767
2-Methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002572
2-Methoxy-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127004478
1-(1,2-Thiazol-3-yl)propane-1,2-diol
CID 130604797
1-Methoxy-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130604800
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480
3-Methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 130659054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol (CID 130735017) is 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol is CC1OCCC1(O)c1ccsn1.
What is the InChIKey of 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol?
The InChIKey is XHRMFICPCSOQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-6-8(10,3-4-11-6)7-2-5-12-9-7/h2,5-6,10H,3-4H2,1H3.
What are the key properties of 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol?
2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol has a molecular weight of 185.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol is sourced from PubChem (CID 130735017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).