4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol

C9H8BrNOS — CID 136870970

IUPAC4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol
SMILESOc1ccc(Br)cc1C1=NCCS1
InChIInChI=1S/C9H8BrNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,12H,3-4H2
InChIKeyBICHXEHHFQJGKL-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.65
Rot. Bonds1

About 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol

4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol (PubChem CID 136870970) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol
PubChem CID136870970
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol
SMILESOc1ccc(Br)cc1C1=NCCS1
InChIInChI=1S/C9H8BrNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,12H,3-4H2
InChIKeyBICHXEHHFQJGKL-UHFFFAOYSA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol?
The IUPAC name of 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol (CID 136870970) is 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol is Oc1ccc(Br)cc1C1=NCCS1.
What is the InChIKey of 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol?
The InChIKey is BICHXEHHFQJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c10-6-1-2-8(12)7(5-6)9-11-3-4-13-9/h1-2,5,12H,3-4H2.
What are the key properties of 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol?
4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol has a molecular weight of 258.14 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4,5-dihydro-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 136870970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).