3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine

C16H20FN3S — CID 166238024

IUPAC3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCCC1CN(c2nc(-c3ccc(F)cc3)cs2)CCC1N
InChIInChI=1S/C16H20FN3S/c1-2-11-9-20(8-7-14(11)18)16-19-15(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,14H,2,7-9,18H2,1H3
InChIKeyDDROCVDXOSUNAF-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.51
Rot. Bonds3

About 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine

3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine (PubChem CID 166238024) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
PubChem CID166238024
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESCCC1CN(c2nc(-c3ccc(F)cc3)cs2)CCC1N
InChIInChI=1S/C16H20FN3S/c1-2-11-9-20(8-7-14(11)18)16-19-15(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,14H,2,7-9,18H2,1H3
InChIKeyDDROCVDXOSUNAF-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 133371229
(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 70737802
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
(1S,5R)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72892934
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
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 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine (CID 166238024) is 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine is CCC1CN(c2nc(-c3ccc(F)cc3)cs2)CCC1N.
What is the InChIKey of 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The InChIKey is DDROCVDXOSUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-2-11-9-20(8-7-14(11)18)16-19-15(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,14H,2,7-9,18H2,1H3.
What are the key properties of 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine?
3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine has a molecular weight of 305.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 166238024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).