[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

C19H15N3O3S — CID 88910758

IUPAC[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C19H15N3O3S/c1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyWVZRMYFDXJAVBC-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.08
Rot. Bonds6

About [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910758) 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-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910758
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESCCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C19H15N3O3S/c1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyWVZRMYFDXJAVBC-UHFFFAOYSA-N
XLogP4.08
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate 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-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910758) is [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is CCOc1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.
What is the InChIKey of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is WVZRMYFDXJAVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-2-24-14-8-9-15-16(10-14)22(19-20-17(11-26-19)25-12-23)21-18(15)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 365.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-ethoxy-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).