[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

C17H10FN3O2S — CID 88910762

IUPAC[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-21(14)17-19-15(9-24-17)23-10-22/h1-10H
InChIKeyKOEILINMWNUJCD-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.82
Rot. Bonds4

About [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910762) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910762
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-21(14)17-19-15(9-24-17)23-10-22/h1-10H
InChIKeyKOEILINMWNUJCD-UHFFFAOYSA-N
XLogP3.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(5-fluoro-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

Related Compounds

[2-[3-Phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179898
[2-[3-Phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179926
[2-[6-(2-Fluorophenyl)sulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179965
[2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910699
[2-[3-(4-Fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910710
[2-[3-(3,5-Difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910724
[2-[3-(3,4-Difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910725
[2-[3-(3-Chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910726
[2-[3-(4-Fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910727
[2-[3-(3-Fluoro-4-methoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910731
[2-[3-(6-Fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
CID 88910740
[2-(4-Fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
CID 88910753

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910762) is [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3cc(F)ccc32)n1.
What is the InChIKey of [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is KOEILINMWNUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20-21(14)17-19-15(9-24-17)23-10-22/h1-10H.
What are the key properties of [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 339.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).