2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol

C10H15NO2S — CID 130620480

IUPAC2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1CC(O)(c2ccsn2)CC(C)O1
InChIInChI=1S/C10H15NO2S/c1-7-5-10(12,6-8(2)13-7)9-3-4-14-11-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyHGRKYEGDBHOOGM-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.92
Rot. Bonds1

About 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol

2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol (PubChem CID 130620480) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
PubChem CID130620480
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1CC(O)(c2ccsn2)CC(C)O1
InChIInChI=1S/C10H15NO2S/c1-7-5-10(12,6-8(2)13-7)9-3-4-14-11-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyHGRKYEGDBHOOGM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
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
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
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
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol (CID 130620480) is 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol is CC1CC(O)(c2ccsn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The InChIKey is HGRKYEGDBHOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-5-10(12,6-8(2)13-7)9-3-4-14-11-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol has a molecular weight of 213.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol is sourced from PubChem (CID 130620480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).