2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole

C27H26FN3S — CID 54760513

IUPAC2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3ccccn3)c(C3CCN(CCc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C27H26FN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2
InChIKeyLRWFBAUJOJTNFL-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.43
Rot. Bonds6

About 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole

2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole (PubChem CID 54760513) has the molecular formula C27H26FN3S and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole
PubChem CID54760513
Molecular FormulaC27H26FN3S
Molecular Weight443.59 g/mol
Exact Mass443.18
IUPAC Name2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3ccccn3)c(C3CCN(CCc4ccccc4)CC3)s2)cc1
InChIInChI=1S/C27H26FN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2
InChIKeyLRWFBAUJOJTNFL-UHFFFAOYSA-N
XLogP6.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole (CID 54760513) is 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole is Fc1ccc(-c2nc(-c3ccccn3)c(C3CCN(CCc4ccccc4)CC3)s2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is LRWFBAUJOJTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2.
What are the key properties of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole?
2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 443.59 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 54760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).