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

C6H4BrNO2S — CID 178076419

IUPAC2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole
SMILESBrc1ncc(C2OC=CO2)s1
InChIInChI=1S/C6H4BrNO2S/c7-6-8-3-4(11-6)5-9-1-2-10-5/h1-3,5H
InChIKeyQBMUVFBUFRERMD-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.42
Rot. Bonds1

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

2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole (PubChem CID 178076419) has the molecular formula C6H4BrNO2S and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole
PubChem CID178076419
Molecular FormulaC6H4BrNO2S
Molecular Weight234.07 g/mol
Exact Mass232.91
IUPAC Name2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole
SMILESBrc1ncc(C2OC=CO2)s1
InChIInChI=1S/C6H4BrNO2S/c7-6-8-3-4(11-6)5-9-1-2-10-5/h1-3,5H
InChIKeyQBMUVFBUFRERMD-UHFFFAOYSA-N
XLogP2.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole (CID 178076419) is 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole is Brc1ncc(C2OC=CO2)s1.
What is the InChIKey of 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole?
The InChIKey is QBMUVFBUFRERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrNO2S/c7-6-8-3-4(11-6)5-9-1-2-10-5/h1-3,5H.
What are the key properties of 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole?
2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole has a molecular weight of 234.07 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1,3-dioxol-2-yl)-1,3-thiazole is sourced from PubChem (CID 178076419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).