2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C17H10FN3O2S — CID 59179970

IUPAC2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-11-7-4-8-13-14(11)15(10-5-2-1-3-6-10)20-21(13)17-19-12(9-24-17)16(22)23/h1-9H,(H,22,23)
InChIKeyRKFLMFPQCKQQHU-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179970) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179970
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-11-7-4-8-13-14(11)15(10-5-2-1-3-6-10)20-21(13)17-19-12(9-24-17)16(22)23/h1-9H,(H,22,23)
InChIKeyRKFLMFPQCKQQHU-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179970) is 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1.
What is the InChIKey of 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RKFLMFPQCKQQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-11-7-4-8-13-14(11)15(10-5-2-1-3-6-10)20-21(13)17-19-12(9-24-17)16(22)23/h1-9H,(H,22,23).
What are the key properties of 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).