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

C8H11NO3S — CID 126985767

IUPAC6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2ccsn2)COCCOC1
InChIInChI=1S/C8H11NO3S/c10-8(7-1-4-13-9-7)5-11-2-3-12-6-8/h1,4,10H,2-3,5-6H2
InChIKeyVOBHTUATUUTZJR-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.38
Rot. Bonds1

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

6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol (PubChem CID 126985767) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol.

Molecular Properties

Compound Name6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol
PubChem CID126985767
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2ccsn2)COCCOC1
InChIInChI=1S/C8H11NO3S/c10-8(7-1-4-13-9-7)5-11-2-3-12-6-8/h1,4,10H,2-3,5-6H2
InChIKeyVOBHTUATUUTZJR-UHFFFAOYSA-N
XLogP0.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
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-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
2-Methyl-1-(1,2-thiazol-3-yl)propane-1,2-diol
CID 130671124
2-Methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol
CID 130735017
3-Methyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130925801
4-(1,2-Thiazol-3-yl)oxepan-4-ol
CID 130977722
3-(1,2-Thiazol-3-yl)oxan-3-ol
CID 131064893
4-(1,2-Thiazol-3-yl)oxan-4-ol
CID 131083972

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol?
The IUPAC name of 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol (CID 126985767) is 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol.
What is the SMILES notation for 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol?
The canonical SMILES for 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol is OC1(c2ccsn2)COCCOC1.
What is the InChIKey of 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol?
The InChIKey is VOBHTUATUUTZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-8(7-1-4-13-9-7)5-11-2-3-12-6-8/h1,4,10H,2-3,5-6H2.
What are the key properties of 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol?
6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol has a molecular weight of 201.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-thiazol-3-yl)-1,4-dioxepan-6-ol is sourced from PubChem (CID 126985767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).