2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

C8H4BrNO2S2 — CID 106510216

IUPAC2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1cccs1
InChIInChI=1S/C8H4BrNO2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H,11,12)
InChIKeyXOPVYRSTCCJZML-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.33
Rot. Bonds2

About 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid

2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510216) has the molecular formula C8H4BrNO2S2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID106510216
Molecular FormulaC8H4BrNO2S2
Molecular Weight290.16 g/mol
Exact Mass288.89
IUPAC Name2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(Br)sc1-c1cccs1
InChIInChI=1S/C8H4BrNO2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H,11,12)
InChIKeyXOPVYRSTCCJZML-UHFFFAOYSA-N
XLogP3.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-thiophen-2-yl-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

Related Compounds

2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252334
5-(4-bromo-3-chlorophenyl)-2-thiophen-2-yl-1,3-oxazole-4-carboxylic acid
CID 81290019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid (CID 106510216) is 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(Br)sc1-c1cccs1.
What is the InChIKey of 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XOPVYRSTCCJZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNO2S2/c9-8-10-5(7(11)12)6(14-8)4-2-1-3-13-4/h1-3H,(H,11,12).
What are the key properties of 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid?
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.16 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).