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

C10H6BrFN2O2S — CID 103199947

IUPAC5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(F)cc2Br)nc1C(=O)O
InChIInChI=1S/C10H6BrFN2O2S/c11-6-3-4(12)1-2-5(6)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyKAJQBKUOPZDRTM-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.99
Rot. Bonds2

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

5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199947) has the molecular formula C10H6BrFN2O2S and a molecular weight of 317.14 g/mol. Its IUPAC name is 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199947
Molecular FormulaC10H6BrFN2O2S
Molecular Weight317.14 g/mol
Exact Mass315.93
IUPAC Name5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ccc(F)cc2Br)nc1C(=O)O
InChIInChI=1S/C10H6BrFN2O2S/c11-6-3-4(12)1-2-5(6)9-14-7(10(15)16)8(13)17-9/h1-3H,13H2,(H,15,16)
InChIKeyKAJQBKUOPZDRTM-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

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Related Compounds

5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 107970764
5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996
methyl 5-amino-2-(2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199725
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757
2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422773
2-(2-bromo-5-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470297
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
2-(2-bromo-4-fluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 107281187
2-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 107281350

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 103199947) is 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ccc(F)cc2Br)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KAJQBKUOPZDRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2S/c11-6-3-4(12)1-2-5(6)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-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(2-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-(2-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).