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

C17H9ClFN3O2S — CID 88910726

IUPAC[2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1
InChIInChI=1S/C17H9ClFN3O2S/c18-12-7-10(5-6-13(12)19)16-11-3-1-2-4-14(11)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H
InChIKeySTUBYGOHYQCANO-UHFFFAOYSA-N
MW373.80 g/mol
LogP4.48
Rot. Bonds4

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

[2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910726) has the molecular formula C17H9ClFN3O2S and a molecular weight of 373.80 g/mol. Its IUPAC name is [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910726
Molecular FormulaC17H9ClFN3O2S
Molecular Weight373.80 g/mol
Exact Mass373.01
IUPAC Name[2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1
InChIInChI=1S/C17H9ClFN3O2S/c18-12-7-10(5-6-13(12)19)16-11-3-1-2-4-14(11)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H
InChIKeySTUBYGOHYQCANO-UHFFFAOYSA-N
XLogP4.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 54.48
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-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910726) is [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccc(F)c(Cl)c3)c3ccccc32)n1.
What is the InChIKey of [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is STUBYGOHYQCANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3O2S/c18-12-7-10(5-6-13(12)19)16-11-3-1-2-4-14(11)22(21-16)17-20-15(8-25-17)24-9-23/h1-9H.
What are the key properties of [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 373.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).