2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

C18H13N3O3S — CID 59179936

IUPAC2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1
InChIInChI=1S/C18H13N3O3S/c1-24-12-7-8-13-15(9-12)21(18-19-14(10-25-18)17(22)23)20-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,23)
InChIKeyXHPRMHICBLVABY-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.86
Rot. Bonds4

About 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179936) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179936
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1
InChIInChI=1S/C18H13N3O3S/c1-24-12-7-8-13-15(9-12)21(18-19-14(10-25-18)17(22)23)20-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,23)
InChIKeyXHPRMHICBLVABY-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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179936) is 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is COc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1.
What is the InChIKey of 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XHPRMHICBLVABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-24-12-7-8-13-15(9-12)21(18-19-14(10-25-18)17(22)23)20-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H,22,23).
What are the key properties of 2-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(6-methoxy-3-phenylindazol-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-(6-methoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).