2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C15H9N3O2S2 — CID 59179969

IUPAC2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccsc3)c3ccccc32)n1
InChIInChI=1S/C15H9N3O2S2/c19-14(20)11-8-22-15(16-11)18-12-4-2-1-3-10(12)13(17-18)9-5-6-21-7-9/h1-8H,(H,19,20)
InChIKeyCXXPJEFHYWXUSA-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.91
Rot. Bonds3

About 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179969) has the molecular formula C15H9N3O2S2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179969
Molecular FormulaC15H9N3O2S2
Molecular Weight327.39 g/mol
Exact Mass327.01
IUPAC Name2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccsc3)c3ccccc32)n1
InChIInChI=1S/C15H9N3O2S2/c19-14(20)11-8-22-15(16-11)18-12-4-2-1-3-10(12)13(17-18)9-5-6-21-7-9/h1-8H,(H,19,20)
InChIKeyCXXPJEFHYWXUSA-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179969) is 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccsc3)c3ccccc32)n1.
What is the InChIKey of 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CXXPJEFHYWXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S2/c19-14(20)11-8-22-15(16-11)18-12-4-2-1-3-10(12)13(17-18)9-5-6-21-7-9/h1-8H,(H,19,20).
What are the key properties of 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 327.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-3-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).