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

C23H15N3O3S — CID 88910714

IUPAC[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)n1
InChIInChI=1S/C23H15N3O3S/c27-15-28-21-14-30-23(24-21)26-20-9-5-4-8-19(20)22(25-26)16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-15H
InChIKeyHNODRCKZTSRXPB-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.48
Rot. Bonds6

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

[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910714) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910714
Molecular FormulaC23H15N3O3S
Molecular Weight413.46 g/mol
Exact Mass413.08
IUPAC Name[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)n1
InChIInChI=1S/C23H15N3O3S/c27-15-28-21-14-30-23(24-21)26-20-9-5-4-8-19(20)22(25-26)16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-15H
InChIKeyHNODRCKZTSRXPB-UHFFFAOYSA-N
XLogP5.48
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910714) is [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)n1.
What is the InChIKey of [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is HNODRCKZTSRXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3S/c27-15-28-21-14-30-23(24-21)26-20-9-5-4-8-19(20)22(25-26)16-10-12-18(13-11-16)29-17-6-2-1-3-7-17/h1-15H.
What are the key properties of [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 413.46 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-phenoxyphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).