[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C17H9F2N3O2S — CID 88910724

IUPAC[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3cc(F)cc(F)c3)c3ccccc32)n1
InChIInChI=1S/C17H9F2N3O2S/c18-11-5-10(6-12(19)7-11)16-13-3-1-2-4-14(13)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H
InChIKeyXBIUMFXGGFFIIZ-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.96
Rot. Bonds4

About [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910724) has the molecular formula C17H9F2N3O2S and a molecular weight of 357.34 g/mol. Its IUPAC name is [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910724
Molecular FormulaC17H9F2N3O2S
Molecular Weight357.34 g/mol
Exact Mass357.04
IUPAC Name[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3cc(F)cc(F)c3)c3ccccc32)n1
InChIInChI=1S/C17H9F2N3O2S/c18-11-5-10(6-12(19)7-11)16-13-3-1-2-4-14(13)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H
InChIKeyXBIUMFXGGFFIIZ-UHFFFAOYSA-N
XLogP3.96
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[3-(3,5-difluorophenyl)indazol-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-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910724) is [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3cc(F)cc(F)c3)c3ccccc32)n1.
What is the InChIKey of [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is XBIUMFXGGFFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2S/c18-11-5-10(6-12(19)7-11)16-13-3-1-2-4-14(13)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H.
What are the key properties of [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 357.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,5-difluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).