4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol

C10H15NO2S — CID 131048907

IUPAC4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol
SMILESCc1cc(C2(O)COCC2(C)C)sn1
InChIInChI=1S/C10H15NO2S/c1-7-4-8(14-11-7)10(12)6-13-5-9(10,2)3/h4,12H,5-6H2,1-3H3
InChIKeyQYIUYXCWFXHNHB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.70
Rot. Bonds1

About 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol

4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol (PubChem CID 131048907) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol
PubChem CID131048907
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol
SMILESCc1cc(C2(O)COCC2(C)C)sn1
InChIInChI=1S/C10H15NO2S/c1-7-4-8(14-11-7)10(12)6-13-5-9(10,2)3/h4,12H,5-6H2,1-3H3
InChIKeyQYIUYXCWFXHNHB-UHFFFAOYSA-N
XLogP1.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-Methyl-isothiazol-5-yl)-1,4-dioxa-spiro[4.5]decan-8-ol
CID 59556170
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
CID 126985704
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
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
3-Ethoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 127004477
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)propane-1,2-diol
CID 130604796
3-Methoxy-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130604847
6-(3-Methyl-1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130604895
3,3-Dimethyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130656094
3-Methoxy-1-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130658254
1-Cyclopropyl-2-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diol
CID 130709272

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol?
The IUPAC name of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol (CID 131048907) is 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol.
What is the SMILES notation for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol?
The canonical SMILES for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol is Cc1cc(C2(O)COCC2(C)C)sn1.
What is the InChIKey of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol?
The InChIKey is QYIUYXCWFXHNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-4-8(14-11-7)10(12)6-13-5-9(10,2)3/h4,12H,5-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol?
4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol has a molecular weight of 213.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)oxolan-3-ol is sourced from PubChem (CID 131048907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).