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

C18H12FN3O2S — CID 88910727

IUPAC[2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCc1cc(F)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12
InChIInChI=1S/C18H12FN3O2S/c1-11-8-12(19)6-7-13(11)17-14-4-2-3-5-15(14)22(21-17)18-20-16(9-25-18)24-10-23/h2-10H,1H3
InChIKeySZMCBEULZZKAHV-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.13
Rot. Bonds4

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

[2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910727) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910727
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name[2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCc1cc(F)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12
InChIInChI=1S/C18H12FN3O2S/c1-11-8-12(19)6-7-13(11)17-14-4-2-3-5-15(14)22(21-17)18-20-16(9-25-18)24-10-23/h2-10H,1H3
InChIKeySZMCBEULZZKAHV-UHFFFAOYSA-N
XLogP4.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.13
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-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910727) is [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is Cc1cc(F)ccc1-c1nn(-c2nc(OC=O)cs2)c2ccccc12.
What is the InChIKey of [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is SZMCBEULZZKAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c1-11-8-12(19)6-7-13(11)17-14-4-2-3-5-15(14)22(21-17)18-20-16(9-25-18)24-10-23/h2-10H,1H3.
What are the key properties of [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 353.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-fluoro-2-methylphenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).