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

C13H12FNO2S — CID 174770640

IUPAC[2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
SMILESCc1ncsc1C(COC=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO2S/c1-9-13(18-7-15-9)12(6-17-8-16)10-3-2-4-11(14)5-10/h2-5,7-8,12H,6H2,1H3
InChIKeyMSDBYXBVEKMONK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.90
Rot. Bonds5

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

[2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate (PubChem CID 174770640) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
PubChem CID174770640
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name[2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate
SMILESCc1ncsc1C(COC=O)c1cccc(F)c1
InChIInChI=1S/C13H12FNO2S/c1-9-13(18-7-15-9)12(6-17-8-16)10-3-2-4-11(14)5-10/h2-5,7-8,12H,6H2,1H3
InChIKeyMSDBYXBVEKMONK-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.90
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-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate?
The IUPAC name of [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate (CID 174770640) is [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate?
The canonical SMILES for [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate is Cc1ncsc1C(COC=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate?
The InChIKey is MSDBYXBVEKMONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-9-13(18-7-15-9)12(6-17-8-16)10-3-2-4-11(14)5-10/h2-5,7-8,12H,6H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate?
[2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate has a molecular weight of 265.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)ethyl] formate is sourced from PubChem (CID 174770640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).