6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol

C8H11NO3S — CID 130840884

IUPAC6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2ccns2)COCCOC1
InChIInChI=1S/C8H11NO3S/c10-8(7-1-2-9-13-7)5-11-3-4-12-6-8/h1-2,10H,3-6H2
InChIKeyCJKGYVUSIAPKNT-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.38
Rot. Bonds1

About 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol

6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol (PubChem CID 130840884) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol.

Molecular Properties

Compound Name6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
PubChem CID130840884
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2ccns2)COCCOC1
InChIInChI=1S/C8H11NO3S/c10-8(7-1-2-9-13-7)5-11-3-4-12-6-8/h1-2,10H,3-6H2
InChIKeyCJKGYVUSIAPKNT-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

Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
CID 21271228
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
Ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate
CID 21271229
6-(3-Methyl-1,2-thiazol-5-yl)-1,4-dioxepan-6-ol
CID 130604895
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanol
CID 130802936
2,5-Dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
CID 130900900
2-Ethyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 130917848
4,4-Dimethyl-3-(1,2-thiazol-5-yl)oxolan-3-ol
CID 130961448
1-Methoxy-2-(1,2-thiazol-5-yl)propan-2-ol
CID 131001010
3-Methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 131001013
2-Methyl-4-(1,2-thiazol-5-yl)oxan-4-ol
CID 131001014
1-[Hydroxy(1,2-thiazol-5-yl)methyl]cyclopentan-1-ol
CID 131015350

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol?
The IUPAC name of 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol (CID 130840884) is 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol.
What is the SMILES notation for 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol?
The canonical SMILES for 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol is OC1(c2ccns2)COCCOC1.
What is the InChIKey of 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol?
The InChIKey is CJKGYVUSIAPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-8(7-1-2-9-13-7)5-11-3-4-12-6-8/h1-2,10H,3-6H2.
What are the key properties of 6-(1,2-thiazol-5-yl)-1,4-dioxepan-6-ol?
6-(1,2-thiazol-5-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-5-yl)-1,4-dioxepan-6-ol is sourced from PubChem (CID 130840884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).