[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C16H17FN2O2S — CID 46066909

IUPAC[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1
InChIInChI=1S/C16H17FN2O2S/c1-2-21-11-5-6-12(13(17)9-11)15-18-14(10-22-15)16(20)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBHLBMNPGZYXHET-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.58
Rot. Bonds4

About [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46066909) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID46066909
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1
InChIInChI=1S/C16H17FN2O2S/c1-2-21-11-5-6-12(13(17)9-11)15-18-14(10-22-15)16(20)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyBHLBMNPGZYXHET-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone 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-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 46066909) is [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is CCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)c(F)c1.
What is the InChIKey of [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BHLBMNPGZYXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-2-21-11-5-6-12(13(17)9-11)15-18-14(10-22-15)16(20)19-7-3-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxy-2-fluorophenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46066909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).