2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole

C16H19FN2OS — CID 133371636

IUPAC2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCOC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C16H19FN2OS/c1-2-20-14-7-9-19(10-8-14)16-18-15(11-21-16)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3
InChIKeyDSCURJYCGMZBNE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole

2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 133371636) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID133371636
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCOC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C16H19FN2OS/c1-2-20-14-7-9-19(10-8-14)16-18-15(11-21-16)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3
InChIKeyDSCURJYCGMZBNE-UHFFFAOYSA-N
XLogP3.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-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

Related Compounds

3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 166238024
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 133371229
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 95786189
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole (CID 133371636) is 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole is CCOC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is DSCURJYCGMZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-2-20-14-7-9-19(10-8-14)16-18-15(11-21-16)12-3-5-13(17)6-4-12/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole?
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 306.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 133371636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).