5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

C10H6BrFN2O2S — CID 107948683

IUPAC5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(F)c(Br)c2)nc1C(=O)O
InChIInChI=1S/C10H6BrFN2O2S/c11-5-3-4(1-2-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyRZXQLVYBOBJVPV-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.99
Rot. Bonds2

About 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107948683) has the molecular formula C10H6BrFN2O2S and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID107948683
Molecular FormulaC10H6BrFN2O2S
Molecular Weight317.14 g/mol
Exact Mass315.93
IUPAC Name5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(F)c(Br)c2)nc1C(=O)O
InChIInChI=1S/C10H6BrFN2O2S/c11-5-3-4(1-2-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyRZXQLVYBOBJVPV-UHFFFAOYSA-N
XLogP2.99
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-2-(3-bromo-4-fluorophenyl)-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 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 107948683) is 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccc(F)c(Br)c2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RZXQLVYBOBJVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2S/c11-5-3-4(1-2-6(5)12)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16).
What are the key properties of 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).