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

C10H15NO2S — CID 130702883

IUPAC2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1(C)CC(O)(c2ccsn2)CCO1
InChIInChI=1S/C10H15NO2S/c1-9(2)7-10(12,4-5-13-9)8-3-6-14-11-8/h3,6,12H,4-5,7H2,1-2H3
InChIKeyUBSABZQUQJYJPX-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.92
Rot. Bonds1

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

2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol (PubChem CID 130702883) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
PubChem CID130702883
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
SMILESCC1(C)CC(O)(c2ccsn2)CCO1
InChIInChI=1S/C10H15NO2S/c1-9(2)7-10(12,4-5-13-9)8-3-6-14-11-8/h3,6,12H,4-5,7H2,1-2H3
InChIKeyUBSABZQUQJYJPX-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
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
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
2-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol (CID 130702883) is 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol is CC1(C)CC(O)(c2ccsn2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
The InChIKey is UBSABZQUQJYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-9(2)7-10(12,4-5-13-9)8-3-6-14-11-8/h3,6,12H,4-5,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol?
2,2-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 2,2-dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol is sourced from PubChem (CID 130702883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).