2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid

C10H6BrNO3S — CID 117189235

IUPAC2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H6BrNO3S/c11-6-2-1-3-7(4-6)15-10-12-8(5-16-10)9(13)14/h1-5H,(H,13,14)
InChIKeyPLMMFUQKRQUDFF-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid

2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid (PubChem CID 117189235) has the molecular formula C10H6BrNO3S and a molecular weight of 300.13 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
PubChem CID117189235
Molecular FormulaC10H6BrNO3S
Molecular Weight300.13 g/mol
Exact Mass298.93
IUPAC Name2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C10H6BrNO3S/c11-6-2-1-3-7(4-6)15-10-12-8(5-16-10)9(13)14/h1-5H,(H,13,14)
InChIKeyPLMMFUQKRQUDFF-UHFFFAOYSA-N
XLogP3.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid 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-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid (CID 117189235) is 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PLMMFUQKRQUDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3S/c11-6-2-1-3-7(4-6)15-10-12-8(5-16-10)9(13)14/h1-5H,(H,13,14).
What are the key properties of 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid?
2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid has a molecular weight of 300.13 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117189235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).