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

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Related Compounds

6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
2-[4-(trifluoromethyl)phenoxy]-1,3-thiazole-4-carboxylic acid
CID 117189251
2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
CID 117189489
methyl 2-phenoxy-1,3-thiazole-4-carboxylate
CID 69084587
2-[[4-(3-bromophenoxy)piperidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 167825313
1-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82308939
3-(3-bromophenoxy)benzenesulfinic acid
CID 57445485
3-[(4-bromo-1,3-thiazol-2-yl)oxy]benzonitrile
CID 79400583
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
N-(4-acetamidophenyl)-2-phenoxy-1,3-thiazole-4-carboxamide
CID 117092780
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-(3-bromophenoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876585

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).