2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C17H15N3O2S — CID 59179923

IUPAC2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCC3)n1
InChIInChI=1S/C17H15N3O2S/c21-16(22)13-10-23-17(18-13)20-14-9-5-4-8-12(14)15(19-20)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22)
InChIKeyVSKGTIWLCACUGC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179923) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179923
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCC3)n1
InChIInChI=1S/C17H15N3O2S/c21-16(22)13-10-23-17(18-13)20-14-9-5-4-8-12(14)15(19-20)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22)
InChIKeyVSKGTIWLCACUGC-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ldh-IN-1
CID 131955127
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-[5-Cyclopropyl-3-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 121461710
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-Hydroxy-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 44611631
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179923) is 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3c2CCCC3)n1.
What is the InChIKey of 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is VSKGTIWLCACUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(22)13-10-23-17(18-13)20-14-9-5-4-8-12(14)15(19-20)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,21,22).
What are the key properties of 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).