2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

C152H76F8N40O12S8 — CID 162085254

IUPAC2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C)ccc7s6)o5)c4)o3)nc2c1.FC(F)(F)c1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C(F)(F)F)ccc7s6)o5)c4)o3)nc2c1.Fc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(F)ccc7s6)o5)c4)o3)nc2c1.c1cc(-c2nnc(-c3nc4ccccc4s3)o2)cc(-c2nnc(-c3nc4ccccc4s3)o2)c1.c1cc(-c2nnc(-c3nccc4cnccc34)o2)cc(-c2nnc(-c3nccc4cnccc34)o2)c1.c1cc(-c2nnc(-c3nccc4ncccc34)o2)cc(-c2nnc(-c3nccc4ncccc34)o2)c1
InChIInChI=1S/C26H10F6N6O2S2.2C26H14N8O2.C26H16N6O2S2.C24H10F2N6O2S2.C24H12N6O2S2/c27-25(28,29)13-4-6-17-15(9-13)33-23(41-17)21-37-35-19(39-21)11-2-1-3-12(8-11)20-36-38-22(40-20)24-34-16-10-14(26(30,31)32)5-7-18(16)42-24;1-4-15(23-31-33-25(35-23)21-17-6-2-10-27-19(17)8-12-29-21)14-16(5-1)24-32-34-26(36-24)22-18-7-3-11-28-20(18)9-13-30-22;1-2-15(23-31-33-25(35-23)21-19-6-8-27-13-17(19)4-10-29-21)12-16(3-1)24-32-34-26(36-24)22-20-7-9-28-14-18(20)5-11-30-22;1-13-6-8-19-17(10-13)27-25(35-19)23-31-29-21(33-23)15-4-3-5-16(12-15)22-30-32-24(34-22)26-28-18-11-14(2)7-9-20(18)36-26;25-13-4-6-17-15(9-13)27-23(35-17)21-31-29-19(33-21)11-2-1-3-12(8-11)20-30-32-22(34-20)24-28-16-10-14(26)5-7-18(16)36-24;1-3-10-17-15(8-1)25-23(33-17)21-29-27-19(31-21)13-6-5-7-14(12-13)20-28-30-22(32-20)24-26-16-9-2-4-11-18(16)34-24/h1-10H;2*1-14H;3-12H,1-2H3;1-10H;1-12H
InChIKeyZCWKFENTUYWCGW-UHFFFAOYSA-N
MW3063.07 g/mol
LogP38.31
Rot. Bonds24

About 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (PubChem CID 162085254) has the molecular formula C152H76F8N40O12S8 and a molecular weight of 3063.07 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
PubChem CID162085254
Molecular FormulaC152H76F8N40O12S8
Molecular Weight3063.07 g/mol
Exact Mass3060.42
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
SMILESCc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C)ccc7s6)o5)c4)o3)nc2c1.FC(F)(F)c1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C(F)(F)F)ccc7s6)o5)c4)o3)nc2c1.Fc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(F)ccc7s6)o5)c4)o3)nc2c1.c1cc(-c2nnc(-c3nc4ccccc4s3)o2)cc(-c2nnc(-c3nc4ccccc4s3)o2)c1.c1cc(-c2nnc(-c3nccc4cnccc34)o2)cc(-c2nnc(-c3nccc4cnccc34)o2)c1.c1cc(-c2nnc(-c3nccc4ncccc34)o2)cc(-c2nnc(-c3nccc4ncccc34)o2)c1
InChIInChI=1S/C26H10F6N6O2S2.2C26H14N8O2.C26H16N6O2S2.C24H10F2N6O2S2.C24H12N6O2S2/c27-25(28,29)13-4-6-17-15(9-13)33-23(41-17)21-37-35-19(39-21)11-2-1-3-12(8-11)20-36-38-22(40-20)24-34-16-10-14(26(30,31)32)5-7-18(16)42-24;1-4-15(23-31-33-25(35-23)21-17-6-2-10-27-19(17)8-12-29-21)14-16(5-1)24-32-34-26(36-24)22-18-7-3-11-28-20(18)9-13-30-22;1-2-15(23-31-33-25(35-23)21-19-6-8-27-13-17(19)4-10-29-21)12-16(3-1)24-32-34-26(36-24)22-20-7-9-28-14-18(20)5-11-30-22;1-13-6-8-19-17(10-13)27-25(35-19)23-31-29-21(33-23)15-4-3-5-16(12-15)22-30-32-24(34-22)26-28-18-11-14(2)7-9-20(18)36-26;25-13-4-6-17-15(9-13)27-23(35-17)21-31-29-19(33-21)11-2-1-3-12(8-11)20-30-32-22(34-20)24-28-16-10-14(26)5-7-18(16)36-24;1-3-10-17-15(8-1)25-23(33-17)21-29-27-19(31-21)13-6-5-7-14(12-13)20-28-30-22(32-20)24-26-16-9-2-4-11-18(16)34-24/h1-10H;2*1-14H;3-12H,1-2H3;1-10H;1-12H
InChIKeyZCWKFENTUYWCGW-UHFFFAOYSA-N
XLogP38.31
TPSA673.28 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds24
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003063.07
LogP ≤ 538.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Analyze 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;methane;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;bis(2-(6-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole);2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-phenyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-phenyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 159056210
2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(6-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(6-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,10-phenanthrolin-2-yl)-5-[4-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-phenyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-phenyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(6-phenyl-1,3-benzothiazol-2-yl)-5-[3-[5-(6-phenyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 159898228
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;methane;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene
CID 157229957
CID 158627805
CID 158627805
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline;6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole;N-[4-[9-[4-(N-naphthalen-1-ylanilino)phenyl]fluoren-9-yl]phenyl]-N-phenylnaphthalen-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine;platinum(2+);2-(6-pyridin-2-yl-2-pyridinyl)-5-[3-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;5,6,11,12-tetraphenyltetracene
CID 162084365

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole (CID 162085254) is 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is Cc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C)ccc7s6)o5)c4)o3)nc2c1.FC(F)(F)c1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(C(F)(F)F)ccc7s6)o5)c4)o3)nc2c1.Fc1ccc2sc(-c3nnc(-c4cccc(-c5nnc(-c6nc7cc(F)ccc7s6)o5)c4)o3)nc2c1.c1cc(-c2nnc(-c3nc4ccccc4s3)o2)cc(-c2nnc(-c3nc4ccccc4s3)o2)c1.c1cc(-c2nnc(-c3nccc4cnccc34)o2)cc(-c2nnc(-c3nccc4cnccc34)o2)c1.c1cc(-c2nnc(-c3nccc4ncccc34)o2)cc(-c2nnc(-c3nccc4ncccc34)o2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
The InChIKey is ZCWKFENTUYWCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10F6N6O2S2.2C26H14N8O2.C26H16N6O2S2.C24H10F2N6O2S2.C24H12N6O2S2/c27-25(28,29)13-4-6-17-15(9-13)33-23(41-17)21-37-35-19(39-21)11-2-1-3-12(8-11)20-36-38-22(40-20)24-34-16-10-14(26(30,31)32)5-7-18(16)42-24;1-4-15(23-31-33-25(35-23)21-17-6-2-10-27-19(17)8-12-29-21)14-16(5-1)24-32-34-26(36-24)22-18-7-3-11-28-20(18)9-13-30-22;1-2-15(23-31-33-25(35-23)21-19-6-8-27-13-17(19)4-10-29-21)12-16(3-1)24-32-34-26(36-24)22-20-7-9-28-14-18(20)5-11-30-22;1-13-6-8-19-17(10-13)27-25(35-19)23-31-29-21(33-23)15-4-3-5-16(12-15)22-30-32-24(34-22)26-28-18-11-14(2)7-9-20(18)36-26;25-13-4-6-17-15(9-13)27-23(35-17)21-31-29-19(33-21)11-2-1-3-12(8-11)20-30-32-22(34-20)24-28-16-10-14(26)5-7-18(16)36-24;1-3-10-17-15(8-1)25-23(33-17)21-29-27-19(31-21)13-6-5-7-14(12-13)20-28-30-22(32-20)24-26-16-9-2-4-11-18(16)34-24/h1-10H;2*1-14H;3-12H,1-2H3;1-10H;1-12H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole?
2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole has a molecular weight of 3063.07 g/mol, XLogP of 38.31, 24 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-[3-[5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-fluoro-1,3-benzothiazol-2-yl)-5-[3-[5-(5-fluoro-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(5-methyl-1,3-benzothiazol-2-yl)-5-[3-[5-(5-methyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,6-naphthyridin-5-yl)-5-[3-[5-(1,6-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(2,6-naphthyridin-1-yl)-5-[3-[5-(2,6-naphthyridin-1-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-5-[3-[5-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162085254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).