5-bromo-2-(oxan-2-yl)-1,3-thiazole

C8H10BrNOS — CID 130132086

IUPAC5-bromo-2-(oxan-2-yl)-1,3-thiazole
SMILESBrc1cnc(C2CCCCO2)s1
InChIInChI=1S/C8H10BrNOS/c9-7-5-10-8(12-7)6-3-1-2-4-11-6/h5-6H,1-4H2
InChIKeyFWGJCDDEGUINJO-UHFFFAOYSA-N
MW248.14 g/mol
LogP3.15
Rot. Bonds1

About 5-bromo-2-(oxan-2-yl)-1,3-thiazole

5-bromo-2-(oxan-2-yl)-1,3-thiazole (PubChem CID 130132086) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 5-bromo-2-(oxan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(oxan-2-yl)-1,3-thiazole
PubChem CID130132086
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name5-bromo-2-(oxan-2-yl)-1,3-thiazole
SMILESBrc1cnc(C2CCCCO2)s1
InChIInChI=1S/C8H10BrNOS/c9-7-5-10-8(12-7)6-3-1-2-4-11-6/h5-6H,1-4H2
InChIKeyFWGJCDDEGUINJO-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-2-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(oxan-2-yl)-1,3-thiazole (CID 130132086) is 5-bromo-2-(oxan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(oxan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(oxan-2-yl)-1,3-thiazole is Brc1cnc(C2CCCCO2)s1.
What is the InChIKey of 5-bromo-2-(oxan-2-yl)-1,3-thiazole?
The InChIKey is FWGJCDDEGUINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-7-5-10-8(12-7)6-3-1-2-4-11-6/h5-6H,1-4H2.
What are the key properties of 5-bromo-2-(oxan-2-yl)-1,3-thiazole?
5-bromo-2-(oxan-2-yl)-1,3-thiazole has a molecular weight of 248.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-2-yl)-1,3-thiazole is sourced from PubChem (CID 130132086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).