[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C17H19FN2O2S — CID 24712457

IUPAC[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(COc3ccccc3F)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-12-6-8-20(9-7-12)17(21)14-11-23-16(19-14)10-22-15-5-3-2-4-13(15)18/h2-5,11-12H,6-10H2,1H3
InChIKeyRSYQOFKSRDYAIE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.73
Rot. Bonds4

About [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 24712457) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID24712457
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2csc(COc3ccccc3F)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-12-6-8-20(9-7-12)17(21)14-11-23-16(19-14)10-22-15-5-3-2-4-13(15)18/h2-5,11-12H,6-10H2,1H3
InChIKeyRSYQOFKSRDYAIE-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone 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-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 24712457) is [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2csc(COc3ccccc3F)n2)CC1.
What is the InChIKey of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RSYQOFKSRDYAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-12-6-8-20(9-7-12)17(21)14-11-23-16(19-14)10-22-15-5-3-2-4-13(15)18/h2-5,11-12H,6-10H2,1H3.
What are the key properties of [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).