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

C10H6BrFN2O2S — CID 106510033

IUPAC2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C10H6BrFN2O2S/c11-5-2-1-4(3-6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16)
InChIKeyUKEXXTWWAFVRMU-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.99
Rot. Bonds2

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

2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510033) has the molecular formula C10H6BrFN2O2S and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510033
Molecular FormulaC10H6BrFN2O2S
Molecular Weight317.14 g/mol
Exact Mass315.93
IUPAC Name2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(-c2ccc(Br)c(F)c2)s1
InChIInChI=1S/C10H6BrFN2O2S/c11-5-2-1-4(3-6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16)
InChIKeyUKEXXTWWAFVRMU-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

3-amino-5-(4-bromo-3-fluorophenyl)-4-propan-2-ylthiophene-2-carboxylic acid
CID 83035584
2-amino-5-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510037
5-amino-2-(3-bromo-4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 107948683
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
5-(4-bromo-3-methylphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510943
2-(4-bromo-3-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470289
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2783009
[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone
CID 90468022
5-(3-bromo-4-methylphenyl)-2-tert-butyl-1,3-thiazole-4-carboxylic acid
CID 106511009
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
6-(4-bromo-3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 112681578
5-amino-2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylic acid
CID 103199996

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid (CID 106510033) is 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(-c2ccc(Br)c(F)c2)s1.
What is the InChIKey of 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UKEXXTWWAFVRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O2S/c11-5-2-1-4(3-6(5)12)8-7(9(15)16)14-10(13)17-8/h1-3H,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(4-bromo-3-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 2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).