2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C18H10F3N3O2S — CID 59179887

IUPAC2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-9H,(H,25,26)
InChIKeyJELFUQAHMVGHOB-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.87
Rot. Bonds3

About 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179887) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179887
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC Name2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1
InChIInChI=1S/C18H10F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-9H,(H,25,26)
InChIKeyJELFUQAHMVGHOB-UHFFFAOYSA-N
XLogP4.87
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179887) is 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)cc32)n1.
What is the InChIKey of 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JELFUQAHMVGHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-9H,(H,25,26).
What are the key properties of 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 389.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-6-(trifluoromethyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).