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

C15H9FN2O2S — CID 79703661

IUPAC2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cn2)sc1-c1ccccc1
InChIInChI=1S/C15H9FN2O2S/c16-10-6-7-11(17-8-10)14-18-12(15(19)20)13(21-14)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyZRRQNNFHEFRZNQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.71
Rot. Bonds3

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

2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 79703661) has the molecular formula C15H9FN2O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID79703661
Molecular FormulaC15H9FN2O2S
Molecular Weight300.31 g/mol
Exact Mass300.04
IUPAC Name2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cn2)sc1-c1ccccc1
InChIInChI=1S/C15H9FN2O2S/c16-10-6-7-11(17-8-10)14-18-12(15(19)20)13(21-14)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyZRRQNNFHEFRZNQ-UHFFFAOYSA-N
XLogP3.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 79703661) is 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cn2)sc1-c1ccccc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZRRQNNFHEFRZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2S/c16-10-6-7-11(17-8-10)14-18-12(15(19)20)13(21-14)9-4-2-1-3-5-9/h1-8H,(H,19,20).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79703661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).