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

C28H28N2S — CID 54760515

IUPAC2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc(CCN2CCC(c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N2S/c1-4-10-22(11-5-1)16-19-30-20-17-24(18-21-30)27-26(23-12-6-2-7-13-23)29-28(31-27)25-14-8-3-9-15-25/h1-15,24H,16-21H2
InChIKeyZGOWMANVWHTSLQ-UHFFFAOYSA-N
MW424.61 g/mol
LogP6.90
Rot. Bonds6

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

2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 54760515) has the molecular formula C28H28N2S and a molecular weight of 424.61 g/mol. Its IUPAC name is 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID54760515
Molecular FormulaC28H28N2S
Molecular Weight424.61 g/mol
Exact Mass424.20
IUPAC Name2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc(CCN2CCC(c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H28N2S/c1-4-10-22(11-5-1)16-19-30-20-17-24(18-21-30)27-26(23-12-6-2-7-13-23)29-28(31-27)25-14-8-3-9-15-25/h1-15,24H,16-21H2
InChIKeyZGOWMANVWHTSLQ-UHFFFAOYSA-N
XLogP6.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole (CID 54760515) is 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole is c1ccc(CCN2CCC(c3sc(-c4ccccc4)nc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is ZGOWMANVWHTSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2S/c1-4-10-22(11-5-1)16-19-30-20-17-24(18-21-30)27-26(23-12-6-2-7-13-23)29-28(31-27)25-14-8-3-9-15-25/h1-15,24H,16-21H2.
What are the key properties of 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole?
2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 424.61 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-[1-(2-phenylethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 54760515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).