2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole

C11H12FNS — CID 101184938

IUPAC2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CCC2=NCCS2)cc1
InChIInChI=1S/C11H12FNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2
InChIKeyATYWJYHNYQUQAF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole

2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole (PubChem CID 101184938) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
PubChem CID101184938
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CCC2=NCCS2)cc1
InChIInChI=1S/C11H12FNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2
InChIKeyATYWJYHNYQUQAF-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole (CID 101184938) is 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole is Fc1ccc(CCC2=NCCS2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is ATYWJYHNYQUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole?
2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 209.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 101184938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).