2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

C78H38N16S8 — CID 23391304

IUPAC2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(-c3cc(-c4nc5cccnc5s4)cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc4-c4cc(-c5nc6cccnc6s5)cc(-c5nc6cccnc6s5)c4)c3)nc2c1
InChIInChI=1S/C78H38N16S8/c1-9-55-71(79-17-1)95-63(87-55)43-25-39(26-44(33-43)64-88-56-10-2-18-80-72(56)96-64)51-37-53(41-29-47(67-91-59-13-5-21-83-75(59)99-67)35-48(30-41)68-92-60-14-6-22-84-76(60)100-68)54(42-31-49(69-93-61-15-7-23-85-77(61)101-69)36-50(32-42)70-94-62-16-8-24-86-78(62)102-70)38-52(51)40-27-45(65-89-57-11-3-19-81-73(57)97-65)34-46(28-40)66-90-58-12-4-20-82-74(58)98-66/h1-38H
InChIKeyWCJCYXMNGYQJKV-UHFFFAOYSA-N
MW1455.81 g/mol
LogP21.73
Rot. Bonds12

About 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 23391304) has the molecular formula C78H38N16S8 and a molecular weight of 1455.81 g/mol. Its IUPAC name is 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID23391304
Molecular FormulaC78H38N16S8
Molecular Weight1455.81 g/mol
Exact Mass1454.12
IUPAC Name2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(-c3cc(-c4nc5cccnc5s4)cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc4-c4cc(-c5nc6cccnc6s5)cc(-c5nc6cccnc6s5)c4)c3)nc2c1
InChIInChI=1S/C78H38N16S8/c1-9-55-71(79-17-1)95-63(87-55)43-25-39(26-44(33-43)64-88-56-10-2-18-80-72(56)96-64)51-37-53(41-29-47(67-91-59-13-5-21-83-75(59)99-67)35-48(30-41)68-92-60-14-6-22-84-76(60)100-68)54(42-31-49(69-93-61-15-7-23-85-77(61)101-69)36-50(32-42)70-94-62-16-8-24-86-78(62)102-70)38-52(51)40-27-45(65-89-57-11-3-19-81-73(57)97-65)34-46(28-40)66-90-58-12-4-20-82-74(58)98-66/h1-38H
InChIKeyWCJCYXMNGYQJKV-UHFFFAOYSA-N
XLogP21.73
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.81
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine 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-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 157617596
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
N,N-diphenyl-3-pyridin-2-ylbenzene-4-id-1-amine;tris(iridium);2-(3-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-6-pentylsulfanylpyridine;2-[3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;tris(2-phenyl-5-(2,4,6-trimethylphenyl)pyridine)
CID 159121559
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[4,6-difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 159443307
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 159496861
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 159798427
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 160178868
2-[2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-1,3-benzothiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-methyl-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-methyl-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;5-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyridin-1-ium-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 160275332
BPPTzTz
CID 168306332
2-[4-[2,3,4,5,6-Pentakis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-c]pyridine
CID 20606861
2-[4-[Tris[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]methyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 20606862
2-[2,3,4,5,6-Pentakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391268

Frequently Asked Questions

What is the IUPAC name of 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 23391304) is 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1cnc2sc(-c3cc(-c4nc5cccnc5s4)cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc4-c4cc(-c5nc6cccnc6s5)cc(-c5nc6cccnc6s5)c4)c3)nc2c1.
What is the InChIKey of 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WCJCYXMNGYQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H38N16S8/c1-9-55-71(79-17-1)95-63(87-55)43-25-39(26-44(33-43)64-88-56-10-2-18-80-72(56)96-64)51-37-53(41-29-47(67-91-59-13-5-21-83-75(59)99-67)35-48(30-41)68-92-60-14-6-22-84-76(60)100-68)54(42-31-49(69-93-61-15-7-23-85-77(61)101-69)36-50(32-42)70-94-62-16-8-24-86-78(62)102-70)38-52(51)40-27-45(65-89-57-11-3-19-81-73(57)97-65)34-46(28-40)66-90-58-12-4-20-82-74(58)98-66/h1-38H.
What are the key properties of 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1455.81 g/mol, XLogP of 21.73, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 23391304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).