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

C6H8BrNOS — CID 2763183

IUPAC2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-8-4(7)3-10-5/h3,9H,1-2H3
InChIKeyDIYKULIZPAXQQZ-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.13
Rot. Bonds1

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

2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 2763183) has the molecular formula C6H8BrNOS and a molecular weight of 222.11 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol
PubChem CID2763183
Molecular FormulaC6H8BrNOS
Molecular Weight222.11 g/mol
Exact Mass220.95
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc(Br)cs1
InChIInChI=1S/C6H8BrNOS/c1-6(2,9)5-8-4(7)3-10-5/h3,9H,1-2H3
InChIKeyDIYKULIZPAXQQZ-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol (CID 2763183) is 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol is CC(C)(O)c1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is DIYKULIZPAXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNOS/c1-6(2,9)5-8-4(7)3-10-5/h3,9H,1-2H3.
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol?
2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 222.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 2763183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).