2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

C17H9ClFN3O2S — CID 59179933

IUPAC2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1
InChIInChI=1S/C17H9ClFN3O2S/c18-11-7-9(5-6-12(11)19)15-10-3-1-2-4-14(10)22(21-15)17-20-13(8-25-17)16(23)24/h1-8H,(H,23,24)
InChIKeyORVTVTORMMDJPS-UHFFFAOYSA-N
MW373.80 g/mol
LogP4.64
Rot. Bonds3

About 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid

2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179933) has the molecular formula C17H9ClFN3O2S and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179933
Molecular FormulaC17H9ClFN3O2S
Molecular Weight373.80 g/mol
Exact Mass373.01
IUPAC Name2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1
InChIInChI=1S/C17H9ClFN3O2S/c18-11-7-9(5-6-12(11)19)15-10-3-1-2-4-14(10)22(21-15)17-20-13(8-25-17)16(23)24/h1-8H,(H,23,24)
InChIKeyORVTVTORMMDJPS-UHFFFAOYSA-N
XLogP4.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179933) is 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1.
What is the InChIKey of 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ORVTVTORMMDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3O2S/c18-11-7-9(5-6-12(11)19)15-10-3-1-2-4-14(10)22(21-15)17-20-13(8-25-17)16(23)24/h1-8H,(H,23,24).
What are the key properties of 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 373.80 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).