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

C19H15N3O3S — CID 59180001

IUPAC2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1
InChIInChI=1S/C19H15N3O3S/c1-2-25-13-8-9-14-16(10-13)22(19-20-15(11-26-19)18(23)24)21-17(14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,24)
InChIKeyGHWFUSGGUFQRRC-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.25
Rot. Bonds5

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

2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59180001) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59180001
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1
InChIInChI=1S/C19H15N3O3S/c1-2-25-13-8-9-14-16(10-13)22(19-20-15(11-26-19)18(23)24)21-17(14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,24)
InChIKeyGHWFUSGGUFQRRC-UHFFFAOYSA-N
XLogP4.25
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59180001) is 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is CCOc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)O)cs3)c2c1.
What is the InChIKey of 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GHWFUSGGUFQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-2-25-13-8-9-14-16(10-13)22(19-20-15(11-26-19)18(23)24)21-17(14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59180001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).