5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine

C108H83N11O3S5 — CID 159451933

About 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine

5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine (PubChem CID 159451933) has the molecular formula C108H83N11O3S5 and a molecular weight of 1743.26 g/mol. Its IUPAC name is 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine.

Molecular Properties

• Compound Name: 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine
• PubChem CID: 159451933
• Molecular Formula: C108H83N11O3S5
• Molecular Weight: 1743.26 g/mol
• Exact Mass: 1741.53
• IUPAC Name: 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine
• SMILES: C(=C/c1sc(-c2cccnc2)nc1-c1ccccc1)\c1ccccc1.C(=N/c1ccccc1)\c1sc(-c2cccnc2)nc1-c1ccccc1.OC(Cc1ccccc1)c1nc(-c2cccnc2)sc1-c1ccccc1.OC(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1.c1ccc(OCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
• InChI: InChI=1S/2C22H18N2OS.C22H16N2S.C21H15N3S.C21H16N2OS/c25-19(14-16-8-3-1-4-9-16)20-21(17-10-5-2-6-11-17)26-22(24-20)18-12-7-13-23-15-18;25-19(14-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)24-22(26-21)18-12-7-13-23-15-18;1-3-8-17(9-4-1)13-14-20-21(18-10-5-2-6-11-18)24-22(25-20)19-12-7-15-23-16-19;1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17;1-3-8-16(9-4-1)20-19(15-24-18-11-5-2-6-12-18)25-21(23-20)17-10-7-13-22-14-17/h2*1-13,15,19,25H,14H2;1-16H;1-15H;1-14H,15H2/b;;14-13+;23-15+
• InChIKey: LTMHYRUMHAWWGG-MICRHHAFSA-N
• XLogP: 27.41
• TPSA: 190.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1743.26
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine?

The IUPAC name of 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine (CID 159451933) is 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine.

What is the SMILES notation for 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine?

The canonical SMILES for 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine is C(=C/c1sc(-c2cccnc2)nc1-c1ccccc1)\c1ccccc1.C(=N/c1ccccc1)\c1sc(-c2cccnc2)nc1-c1ccccc1.OC(Cc1ccccc1)c1nc(-c2cccnc2)sc1-c1ccccc1.OC(Cc1ccccc1)c1sc(-c2cccnc2)nc1-c1ccccc1.c1ccc(OCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1.

What is the InChIKey of 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine?

The InChIKey is LTMHYRUMHAWWGG-MICRHHAFSA-N. The full InChI is InChI=1S/2C22H18N2OS.C22H16N2S.C21H15N3S.C21H16N2OS/c25-19(14-16-8-3-1-4-9-16)20-21(17-10-5-2-6-11-17)26-22(24-20)18-12-7-13-23-15-18;25-19(14-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)24-22(26-21)18-12-7-13-23-15-18;1-3-8-17(9-4-1)13-14-20-21(18-10-5-2-6-11-18)24-22(25-20)19-12-7-15-23-16-19;1-3-8-16(9-4-1)20-19(15-23-18-11-5-2-6-12-18)25-21(24-20)17-10-7-13-22-14-17;1-3-8-16(9-4-1)20-19(15-24-18-11-5-2-6-12-18)25-21(23-20)17-10-7-13-22-14-17/h2*1-13,15,19,25H,14H2;1-16H;1-15H;1-14H,15H2/b;;14-13+;23-15+;.

What are the key properties of 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine?

5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine has a molecular weight of 1743.26 g/mol, XLogP of 27.41, 23 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;2-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanol;2-phenyl-1-(5-phenyl-2-pyridin-3-yl-1,3-thiazol-4-yl)ethanol;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 159451933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).