2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C64H28N10S10 — CID 101175116

IUPAC2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1nc2cc3sc(-c4ccc(-c5nc6cc7sc(-c8ccc(-c9nc%10cc%11sc(-c%12ccc(-c%13nc%14cc%15sc(-c%16ccc(-c%17nc%18cc%19scnc%19cc%18s%17)cc%16)nc%15cc%14s%13)cc%12)nc%11cc%10s9)cc8)nc7cc6s5)cc4)nc3cc2s1
InChIInChI=1S/C64H28N10S10/c1-5-31(6-2-29(1)57-67-39-19-47-37(65-27-75-47)17-49(39)77-57)59-69-41-21-53-43(23-51(41)79-59)71-61(81-53)33-9-13-35(14-10-33)63-73-45-25-56-46(26-55(45)83-63)74-64(84-56)36-15-11-34(12-16-36)62-72-44-24-52-42(22-54(44)82-62)70-60(80-52)32-7-3-30(4-8-32)58-68-40-20-48-38(66-28-76-48)18-50(40)78-58/h1-28H
InChIKeyGTQSDGYETBCCKI-UHFFFAOYSA-N
MW1257.67 g/mol
LogP21.12
Rot. Bonds8

About 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 101175116) has the molecular formula C64H28N10S10 and a molecular weight of 1257.67 g/mol. Its IUPAC name is 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID101175116
Molecular FormulaC64H28N10S10
Molecular Weight1257.67 g/mol
Exact Mass1255.97
IUPAC Name2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1nc2cc3sc(-c4ccc(-c5nc6cc7sc(-c8ccc(-c9nc%10cc%11sc(-c%12ccc(-c%13nc%14cc%15sc(-c%16ccc(-c%17nc%18cc%19scnc%19cc%18s%17)cc%16)nc%15cc%14s%13)cc%12)nc%11cc%10s9)cc8)nc7cc6s5)cc4)nc3cc2s1
InChIInChI=1S/C64H28N10S10/c1-5-31(6-2-29(1)57-67-39-19-47-37(65-27-75-47)17-49(39)77-57)59-69-41-21-53-43(23-51(41)79-59)71-61(81-53)33-9-13-35(14-10-33)63-73-45-25-56-46(26-55(45)83-63)74-64(84-56)36-15-11-34(12-16-36)62-72-44-24-52-42(22-54(44)82-62)70-60(80-52)32-7-3-30(4-8-32)58-68-40-20-48-38(66-28-76-48)18-50(40)78-58/h1-28H
InChIKeyGTQSDGYETBCCKI-UHFFFAOYSA-N
XLogP21.12
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.67
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Related Compounds

2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 17325445
6-(bromomethyl)-2-(4-iodophenyl)-1,3-benzothiazole
CID 95930199
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
[1,3]thiazolo[5,4-g]quinoxaline
CID 45077795
2-phenyl-1,3-benzothiazole-5,6-diol
CID 141168347
4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]benzonitrile
CID 101255029
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
2-(4-carboxyphenyl)-1,3-benzothiazole-5-carboxylic acid
CID 142416097
4-(5,6-dichloro-1,3-benzothiazol-2-yl)benzoyl chloride
CID 20556656

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 101175116) is 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is c1nc2cc3sc(-c4ccc(-c5nc6cc7sc(-c8ccc(-c9nc%10cc%11sc(-c%12ccc(-c%13nc%14cc%15sc(-c%16ccc(-c%17nc%18cc%19scnc%19cc%18s%17)cc%16)nc%15cc%14s%13)cc%12)nc%11cc%10s9)cc8)nc7cc6s5)cc4)nc3cc2s1.
What is the InChIKey of 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is GTQSDGYETBCCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H28N10S10/c1-5-31(6-2-29(1)57-67-39-19-47-37(65-27-75-47)17-49(39)77-57)59-69-41-21-53-43(23-51(41)79-59)71-61(81-53)33-9-13-35(14-10-33)63-73-45-25-56-46(26-55(45)83-63)74-64(84-56)36-15-11-34(12-16-36)62-72-44-24-52-42(22-54(44)82-62)70-60(80-52)32-7-3-30(4-8-32)58-68-40-20-48-38(66-28-76-48)18-50(40)78-58/h1-28H.
What are the key properties of 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 1257.67 g/mol, XLogP of 21.12, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 101175116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).