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

C18H13N3O3S — CID 59179878

IUPAC2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21(20-16)18-19-14(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyJSVXJPUKWRIIPM-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.86
Rot. Bonds4

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

2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 59179878) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID59179878
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21(20-16)18-19-14(10-25-18)17(22)23/h2-10H,1H3,(H,22,23)
InChIKeyJSVXJPUKWRIIPM-UHFFFAOYSA-N
XLogP3.86
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid (CID 59179878) is 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JSVXJPUKWRIIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)16-13-4-2-3-5-15(13)21(20-16)18-19-14(10-25-18)17(22)23/h2-10H,1H3,(H,22,23).
What are the key properties of 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 351.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).