1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine

C16H19ClFN3S — CID 118190180

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H19ClFN3S/c17-16-20-10-15(22-16)11-21-7-5-14(6-8-21)19-9-12-1-3-13(18)4-2-12/h1-4,10,14,19H,5-9,11H2
InChIKeyXKBBJUZUOSWWDL-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.69
Rot. Bonds5

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 118190180) has the molecular formula C16H19ClFN3S and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID118190180
Molecular FormulaC16H19ClFN3S
Molecular Weight339.87 g/mol
Exact Mass339.10
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESFc1ccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)cc1
InChIInChI=1S/C16H19ClFN3S/c17-16-20-10-15(22-16)11-21-7-5-14(6-8-21)19-9-12-1-3-13(18)4-2-12/h1-4,10,14,19H,5-9,11H2
InChIKeyXKBBJUZUOSWWDL-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine (CID 118190180) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine is Fc1ccc(CNC2CCN(Cc3cnc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is XKBBJUZUOSWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3S/c17-16-20-10-15(22-16)11-21-7-5-14(6-8-21)19-9-12-1-3-13(18)4-2-12/h1-4,10,14,19H,5-9,11H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 339.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 118190180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).