[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate

C12H10FNO2S — CID 174567790

IUPAC[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate
SMILESO=COCC(c1ccc(F)cc1)c1cncs1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(6-16-8-15)12-5-14-7-17-12/h1-5,7-8,11H,6H2
InChIKeyCLIWXKIKESALLJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.59
Rot. Bonds5

About [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate

[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate (PubChem CID 174567790) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate
PubChem CID174567790
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate
SMILESO=COCC(c1ccc(F)cc1)c1cncs1
InChIInChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(6-16-8-15)12-5-14-7-17-12/h1-5,7-8,11H,6H2
InChIKeyCLIWXKIKESALLJ-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate?
The IUPAC name of [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate (CID 174567790) is [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate?
The canonical SMILES for [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate is O=COCC(c1ccc(F)cc1)c1cncs1.
What is the InChIKey of [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate?
The InChIKey is CLIWXKIKESALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-10-3-1-9(2-4-10)11(6-16-8-15)12-5-14-7-17-12/h1-5,7-8,11H,6H2.
What are the key properties of [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate?
[2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate has a molecular weight of 251.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl] formate is sourced from PubChem (CID 174567790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).