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

C20H20FN3S — CID 155357318

IUPAC5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C20H20FN3S/c21-16-7-5-14(6-8-16)17-3-1-2-4-18(17)24-11-9-15(10-12-24)19-13-23-20(22)25-19/h1-8,13,15H,9-12H2,(H2,22,23)
InChIKeyVGTPTQOMXWOPOE-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.92
Rot. Bonds3

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

5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155357318) has the molecular formula C20H20FN3S and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155357318
Molecular FormulaC20H20FN3S
Molecular Weight353.47 g/mol
Exact Mass353.14
IUPAC Name5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C20H20FN3S/c21-16-7-5-14(6-8-16)17-3-1-2-4-18(17)24-11-9-15(10-12-24)19-13-23-20(22)25-19/h1-8,13,15H,9-12H2,(H2,22,23)
InChIKeyVGTPTQOMXWOPOE-UHFFFAOYSA-N
XLogP4.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
N-(4-{2-[benzyl(methyl)amino]ethyl}phenyl)-5-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 72201050
5-(3-phenyl-4-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 117918945
N-benzyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 54581035
N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
CID 54581036
N-benzyl-5-(4-fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54585934
5-[3-(2-propan-2-ylphenyl)-4-pyridinyl]-N-propyl-1,3-thiazol-2-amine
CID 117918940
2-Thiazolamine, 4-phenyl-5-(3-pyridinyl)-
CID 3024895
N-(4-(2-(benzyl(methyl)amino)ethyl)phenyl)-5-(pyridin-3-yl)thiazol-2-amine hydrobromide
CID 72736243
4-(2-Fluorophenyl)-5-(quinolin-4-yl)thiazol-2-amine
CID 11370662
N-benzyl-5-(2-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584976
N-benzyl-5-(4-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 54584977

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine (CID 155357318) is 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine is Nc1ncc(C2CCN(c3ccccc3-c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is VGTPTQOMXWOPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S/c21-16-7-5-14(6-8-16)17-3-1-2-4-18(17)24-11-9-15(10-12-24)19-13-23-20(22)25-19/h1-8,13,15H,9-12H2,(H2,22,23).
What are the key properties of 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine?
5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 353.47 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenyl)phenyl]piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).