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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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).