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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,6-diphenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179873
2-[3-[4-(methoxymethyl)phenyl]indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611642
2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179955
2-[5-(3,4-difluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179271
2-[3-(2,6-dimethoxy-3-pyridinyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179998
2-(4-chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910711
2-[6-[(3-fluorophenyl)methylamino]-3-phenylindazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179897
2-[3-phenyl-6-(propylsulfonylamino)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179976
2-(4-hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
2-[4-methyl-3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44612019
methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
CID 59332124

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).