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

C8H10BrNO2S — CID 114684160

IUPAC4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1(c2nc(Br)cs2)CCOCC1
InChIInChI=1S/C8H10BrNO2S/c9-6-5-13-7(10-6)8(11)1-3-12-4-2-8/h5,11H,1-4H2
InChIKeyANFJUVZYINARLC-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.90
Rot. Bonds1

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

4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol (PubChem CID 114684160) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol
PubChem CID114684160
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1(c2nc(Br)cs2)CCOCC1
InChIInChI=1S/C8H10BrNO2S/c9-6-5-13-7(10-6)8(11)1-3-12-4-2-8/h5,11H,1-4H2
InChIKeyANFJUVZYINARLC-UHFFFAOYSA-N
XLogP1.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol?
The IUPAC name of 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol (CID 114684160) is 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol is OC1(c2nc(Br)cs2)CCOCC1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol?
The InChIKey is ANFJUVZYINARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c9-6-5-13-7(10-6)8(11)1-3-12-4-2-8/h5,11H,1-4H2.
What are the key properties of 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol?
4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol has a molecular weight of 264.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-2-yl)oxan-4-ol is sourced from PubChem (CID 114684160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).