2,6-dibromo-4-(1,3-thiazol-4-yl)phenol

C9H5Br2NOS — CID 91164577

IUPAC2,6-dibromo-4-(1,3-thiazol-4-yl)phenol
SMILESOc1c(Br)cc(-c2cscn2)cc1Br
InChIInChI=1S/C9H5Br2NOS/c10-6-1-5(2-7(11)9(6)13)8-3-14-4-12-8/h1-4,13H
InChIKeyLOAZEWOVHKDRCZ-UHFFFAOYSA-N
MW335.02 g/mol
LogP4.04
Rot. Bonds1

About 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol

2,6-dibromo-4-(1,3-thiazol-4-yl)phenol (PubChem CID 91164577) has the molecular formula C9H5Br2NOS and a molecular weight of 335.02 g/mol. Its IUPAC name is 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(1,3-thiazol-4-yl)phenol
PubChem CID91164577
Molecular FormulaC9H5Br2NOS
Molecular Weight335.02 g/mol
Exact Mass332.85
IUPAC Name2,6-dibromo-4-(1,3-thiazol-4-yl)phenol
SMILESOc1c(Br)cc(-c2cscn2)cc1Br
InChIInChI=1S/C9H5Br2NOS/c10-6-1-5(2-7(11)9(6)13)8-3-14-4-12-8/h1-4,13H
InChIKeyLOAZEWOVHKDRCZ-UHFFFAOYSA-N
XLogP4.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.02
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dibromo-4-(1,3-thiazol-4-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 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol (CID 91164577) is 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol is Oc1c(Br)cc(-c2cscn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol?
The InChIKey is LOAZEWOVHKDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NOS/c10-6-1-5(2-7(11)9(6)13)8-3-14-4-12-8/h1-4,13H.
What are the key properties of 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol?
2,6-dibromo-4-(1,3-thiazol-4-yl)phenol has a molecular weight of 335.02 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 91164577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).