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

C19H11N3O2S2 — CID 59179955

IUPAC2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3csc4ccccc34)c3ccccc32)n1
InChIInChI=1S/C19H11N3O2S2/c23-18(24)14-10-26-19(20-14)22-15-7-3-1-6-12(15)17(21-22)13-9-25-16-8-4-2-5-11(13)16/h1-10H,(H,23,24)
InChIKeyQWODHYSBSNIDLF-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.06
Rot. Bonds3

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

2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179955) has the molecular formula C19H11N3O2S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179955
Molecular FormulaC19H11N3O2S2
Molecular Weight377.45 g/mol
Exact Mass377.03
IUPAC Name2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3csc4ccccc34)c3ccccc32)n1
InChIInChI=1S/C19H11N3O2S2/c23-18(24)14-10-26-19(20-14)22-15-7-3-1-6-12(15)17(21-22)13-9-25-16-8-4-2-5-11(13)16/h1-10H,(H,23,24)
InChIKeyQWODHYSBSNIDLF-UHFFFAOYSA-N
XLogP5.06
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-phenyl-4H-indeno[2,1-d]pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179305
2-(6-Trifluoromethyl-3-phenyl-1H-indazole-1-yl)-4-thiazolecarboxylic acid
CID 59179887
2-[3-Phenyl-6-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179917
2-(6-Methyl-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 68258993
2-(3-Phenyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylic acid
CID 1498318
2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611364
2-(4-Chloro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611633
2-(4-Fluoro-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611763
2-[5-(3-Fluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611764
2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 46220498
2-(3-Phenyl-1h-indazol-1-yl)thiazole-4-carboxylic acid
CID 46220500
2-(4-Methyl-3-phenyl-5-thiophen-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179256

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179955) is 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3csc4ccccc34)c3ccccc32)n1.
What is the InChIKey of 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QWODHYSBSNIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2S2/c23-18(24)14-10-26-19(20-14)22-15-7-3-1-6-12(15)17(21-22)13-9-25-16-8-4-2-5-11(13)16/h1-10H,(H,23,24).
What are the key properties of 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 377.45 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-3-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).