4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline

C15H20FN3S — CID 70293248

IUPAC4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCC2CSC(N3CCCCC3)=N2)cc1
InChIInChI=1S/C15H20FN3S/c16-12-4-6-13(7-5-12)17-10-14-11-20-15(18-14)19-8-2-1-3-9-19/h4-7,14,17H,1-3,8-11H2
InChIKeyLOYZUMJLYZIQEY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds3

About 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline

4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 70293248) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline
PubChem CID70293248
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline
SMILESFc1ccc(NCC2CSC(N3CCCCC3)=N2)cc1
InChIInChI=1S/C15H20FN3S/c16-12-4-6-13(7-5-12)17-10-14-11-20-15(18-14)19-8-2-1-3-9-19/h4-7,14,17H,1-3,8-11H2
InChIKeyLOYZUMJLYZIQEY-UHFFFAOYSA-N
XLogP3.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline (CID 70293248) is 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline is Fc1ccc(NCC2CSC(N3CCCCC3)=N2)cc1.
What is the InChIKey of 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is LOYZUMJLYZIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c16-12-4-6-13(7-5-12)17-10-14-11-20-15(18-14)19-8-2-1-3-9-19/h4-7,14,17H,1-3,8-11H2.
What are the key properties of 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline?
4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 293.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-piperidin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 70293248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).