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

C9H6FN3O2S — CID 89457099

IUPAC5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ncccc2F)nc1C(=O)O
InChIInChI=1S/C9H6FN3O2S/c10-4-2-1-3-12-5(4)8-13-6(9(14)15)7(11)16-8/h1-3H,11H2,(H,14,15)
InChIKeyFCDXDKDERJELFM-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.62
Rot. Bonds2

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

5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 89457099) has the molecular formula C9H6FN3O2S and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID89457099
Molecular FormulaC9H6FN3O2S
Molecular Weight239.23 g/mol
Exact Mass239.02
IUPAC Name5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(-c2ncccc2F)nc1C(=O)O
InChIInChI=1S/C9H6FN3O2S/c10-4-2-1-3-12-5(4)8-13-6(9(14)15)7(11)16-8/h1-3H,11H2,(H,14,15)
InChIKeyFCDXDKDERJELFM-UHFFFAOYSA-N
XLogP1.62
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 89457099) is 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid is Nc1sc(-c2ncccc2F)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FCDXDKDERJELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O2S/c10-4-2-1-3-12-5(4)8-13-6(9(14)15)7(11)16-8/h1-3H,11H2,(H,14,15).
What are the key properties of 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 89457099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).