2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine

C43H19N11S6 — CID 58625621

IUPAC2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc2sc(-c3c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c3-c3nc4cccnc4s3)nc2c1
InChIInChI=1S/C43H19N11S6/c1-2-14-26-20(8-1)49-38(55-26)27-28(39-50-21-9-3-15-44-33(21)56-39)30(41-52-23-11-5-17-46-35(23)58-41)32(43-54-25-13-7-19-48-37(25)60-43)31(42-53-24-12-6-18-47-36(24)59-42)29(27)40-51-22-10-4-16-45-34(22)57-40/h1-19H
InChIKeyCIFSQMHTVDYYQQ-UHFFFAOYSA-N
MW882.10 g/mol
LogP12.32
Rot. Bonds6

About 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 58625621) has the molecular formula C43H19N11S6 and a molecular weight of 882.10 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID58625621
Molecular FormulaC43H19N11S6
Molecular Weight882.10 g/mol
Exact Mass881.01
IUPAC Name2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc2sc(-c3c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c3-c3nc4cccnc4s3)nc2c1
InChIInChI=1S/C43H19N11S6/c1-2-14-26-20(8-1)49-38(55-26)27-28(39-50-21-9-3-15-44-33(21)56-39)30(41-52-23-11-5-17-46-35(23)58-41)32(43-54-25-13-7-19-48-37(25)60-43)31(42-53-24-12-6-18-47-36(24)59-42)29(27)40-51-22-10-4-16-45-34(22)57-40/h1-19H
InChIKeyCIFSQMHTVDYYQQ-UHFFFAOYSA-N
XLogP12.32
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.10
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 58625621) is 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1ccc2sc(-c3c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c(-c4nc5cccnc5s4)c3-c3nc4cccnc4s3)nc2c1.
What is the InChIKey of 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is CIFSQMHTVDYYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H19N11S6/c1-2-14-26-20(8-1)49-38(55-26)27-28(39-50-21-9-3-15-44-33(21)56-39)30(41-52-23-11-5-17-46-35(23)58-41)32(43-54-25-13-7-19-48-37(25)60-43)31(42-53-24-12-6-18-47-36(24)59-42)29(27)40-51-22-10-4-16-45-34(22)57-40/h1-19H.
What are the key properties of 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 882.10 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrakis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 58625621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).