2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

C11H9FN2O3S — CID 106510003

IUPAC2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2sc(N)nc2C(=O)O)cc1F
InChIInChI=1S/C11H9FN2O3S/c1-17-7-3-2-5(4-6(7)12)9-8(10(15)16)14-11(13)18-9/h2-4H,1H3,(H2,13,14)(H,15,16)
InChIKeyOBOZNNWIDBRENJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510003) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510003
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2sc(N)nc2C(=O)O)cc1F
InChIInChI=1S/C11H9FN2O3S/c1-17-7-3-2-5(4-6(7)12)9-8(10(15)16)14-11(13)18-9/h2-4H,1H3,(H2,13,14)(H,15,16)
InChIKeyOBOZNNWIDBRENJ-UHFFFAOYSA-N
XLogP2.24
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 106510003) is 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2sc(N)nc2C(=O)O)cc1F.
What is the InChIKey of 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OBOZNNWIDBRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c1-17-7-3-2-5(4-6(7)12)9-8(10(15)16)14-11(13)18-9/h2-4H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).