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

C17H10FN3O2S — CID 88910753

IUPAC[2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-12-7-4-8-13-15(12)16(11-5-2-1-3-6-11)20-21(13)17-19-14(9-24-17)23-10-22/h1-10H
InChIKeySPBLKXLABBBYRI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.82
Rot. Bonds4

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

[2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910753) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910753
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name[2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1
InChIInChI=1S/C17H10FN3O2S/c18-12-7-4-8-13-15(12)16(11-5-2-1-3-6-11)20-21(13)17-19-14(9-24-17)23-10-22/h1-10H
InChIKeySPBLKXLABBBYRI-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910753) is [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3c(F)cccc32)n1.
What is the InChIKey of [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is SPBLKXLABBBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-12-7-4-8-13-15(12)16(11-5-2-1-3-6-11)20-21(13)17-19-14(9-24-17)23-10-22/h1-10H.
What are the key properties of [2-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(4-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-(4-fluoro-3-phenylindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).