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

C64H47N7OS3 — CID 158589739

IUPAC5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine
SMILESC(=C/c1sc(-c2cccnc2)nc1-c1ccccc1)\c1ccccc1.C(=N/c1ccccc1)\c1sc(-c2cccnc2)nc1-c1ccccc1.c1ccc(OCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2S.C21H15N3S.C21H16N2OS/c1-3-8-17(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/h1-16H;1-15H;1-14H,15H2/b14-13+;23-15+;
InChIKeyHUHJRYQZSFUNCP-KMQZMNHRSA-N
MW1026.33 g/mol
LogP17.12
Rot. Bonds13

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;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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine (PubChem CID 158589739) has the molecular formula C64H47N7OS3 and a molecular weight of 1026.33 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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound Name5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine
PubChem CID158589739
Molecular FormulaC64H47N7OS3
Molecular Weight1026.33 g/mol
Exact Mass1025.30
IUPAC Name5-(phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-5-[(E)-2-phenylethenyl]-2-pyridin-3-yl-1,3-thiazole;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine
SMILESC(=C/c1sc(-c2cccnc2)nc1-c1ccccc1)\c1ccccc1.C(=N/c1ccccc1)\c1sc(-c2cccnc2)nc1-c1ccccc1.c1ccc(OCc2sc(-c3cccnc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2S.C21H15N3S.C21H16N2OS/c1-3-8-17(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/h1-16H;1-15H;1-14H,15H2/b14-13+;23-15+;
InChIKeyHUHJRYQZSFUNCP-KMQZMNHRSA-N
XLogP17.12
TPSA98.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.33
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Related Compounds

4-[[3,5-Bis[(5-phenyl-2-pyridin-2-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]methoxy]-5-phenyl-2-pyridin-2-yl-1,3-thiazole
CID 101507196
5-[2-[[5-[(2-Fluorophenoxy)methyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 157854716
4-Pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
CID 23248330
4-Pyridin-4-yl-2-[4-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
CID 101760018
4-[2-[3-(4-Benzhydrylpiperidin-1-yl)propoxy]phenyl]-2-pyridin-3-yl-1,3-thiazole
CID 23289346
4-(4-Methoxyphenyl)-2-[4-[[4-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methylsulfinylmethyl]phenyl]-5-pyridin-4-yl-1,3-thiazole
CID 69731489
4-(4-Methoxyphenyl)-2-[4-[[4-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methylsulfonylmethyl]phenyl]-5-pyridin-4-yl-1,3-thiazole
CID 69731890
5-(Phenoxymethyl)-4-phenyl-2-pyridin-3-yl-1,3-thiazole
CID 89594562
1-[6-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 102311078
N-[[6-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 135207646
2-Phenyl-7-[3-phenyl-5-[3-phenyl-5-(2-phenylthieno[2,3-c]pyridin-7-yl)phenoxy]phenyl]thieno[2,3-c]pyridine
CID 137538115
4-[3-Methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole
CID 139884974

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;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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine (CID 158589739) 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;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;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;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.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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine?
The InChIKey is HUHJRYQZSFUNCP-KMQZMNHRSA-N. The full InChI is InChI=1S/C22H16N2S.C21H15N3S.C21H16N2OS/c1-3-8-17(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/h1-16H;1-15H;1-14H,15H2/b14-13+;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;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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine has a molecular weight of 1026.33 g/mol, XLogP of 17.12, 13 rotatable bonds, 0 hydrogen bond donors, and 11 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;N-phenyl-1-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 158589739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).