2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

C11H7BrFNO2S — CID 174610551

IUPAC2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(Br)sc1-c1ccccc1F
InChIInChI=1S/C11H7BrFNO2S/c12-11-14-8(5-9(15)16)10(17-11)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16)
InChIKeyLPJZIRAIOGTXQU-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.34
Rot. Bonds3

About 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 174610551) has the molecular formula C11H7BrFNO2S and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID174610551
Molecular FormulaC11H7BrFNO2S
Molecular Weight316.15 g/mol
Exact Mass314.94
IUPAC Name2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(Br)sc1-c1ccccc1F
InChIInChI=1S/C11H7BrFNO2S/c12-11-14-8(5-9(15)16)10(17-11)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16)
InChIKeyLPJZIRAIOGTXQU-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-bromo-2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 84608719
2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
CID 19800550
2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
CID 175338698
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-[5-(2-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314277
tert-butyl 2-bromo-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133056061
2-[3,5-bis(2-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314319
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608421
2-[5-(3-bromo-4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 174624909
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid (CID 174610551) is 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1nc(Br)sc1-c1ccccc1F.
What is the InChIKey of 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LPJZIRAIOGTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2S/c12-11-14-8(5-9(15)16)10(17-11)6-3-1-2-4-7(6)13/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 316.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 174610551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).