6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol

C8H10BrNO3S — CID 126981803

IUPAC6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2scnc2Br)COCCOC1
InChIInChI=1S/C8H10BrNO3S/c9-7-6(14-5-10-7)8(11)3-12-1-2-13-4-8/h5,11H,1-4H2
InChIKeyJJPMZRWUHHQHIN-UHFFFAOYSA-N
MW280.14 g/mol
LogP1.14
Rot. Bonds1

About 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol

6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol (PubChem CID 126981803) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol.

Molecular Properties

Compound Name6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol
PubChem CID126981803
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol
SMILESOC1(c2scnc2Br)COCCOC1
InChIInChI=1S/C8H10BrNO3S/c9-7-6(14-5-10-7)8(11)3-12-1-2-13-4-8/h5,11H,1-4H2
InChIKeyJJPMZRWUHHQHIN-UHFFFAOYSA-N
XLogP1.14
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-thiazol-5-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526092
3-(1,3-thiazol-4-yl)oxan-3-ol
CID 130662967
3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
CID 114102823
4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole
CID 66728317
4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167902254
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
[4-(4-bromo-1,3-thiazol-5-yl)-4-hydroxypiperidin-1-yl]-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 100652586
6-thiophen-3-yl-1,4-dioxepan-6-ol
CID 126981802
3-(2-bromo-4-chloro-3-pyridinyl)oxetan-3-ol
CID 86684260
3-thiophen-2-yloxolan-3-ol
CID 63331558
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057
1-([1,3]thiazolo[4,5-d]pyrimidin-5-yl)cyclopropan-1-ol
CID 91032220

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol?
The IUPAC name of 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol (CID 126981803) is 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol.
What is the SMILES notation for 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol?
The canonical SMILES for 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol is OC1(c2scnc2Br)COCCOC1.
What is the InChIKey of 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol?
The InChIKey is JJPMZRWUHHQHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c9-7-6(14-5-10-7)8(11)3-12-1-2-13-4-8/h5,11H,1-4H2.
What are the key properties of 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol?
6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol has a molecular weight of 280.14 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-1,3-thiazol-5-yl)-1,4-dioxepan-6-ol is sourced from PubChem (CID 126981803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).