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

C42H24N6S3 — CID 23391324

IUPAC2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)cc(-c5ccc(-c6nc7cccnc7s6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C42H24N6S3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H
InChIKeyJXMRVTSXNJXWKK-UHFFFAOYSA-N
MW708.90 g/mol
LogP11.70
Rot. Bonds6

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

2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 23391324) has the molecular formula C42H24N6S3 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID23391324
Molecular FormulaC42H24N6S3
Molecular Weight708.90 g/mol
Exact Mass708.12
IUPAC Name2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)cc(-c5ccc(-c6nc7cccnc7s6)cc5)c4)cc3)nc2c1
InChIInChI=1S/C42H24N6S3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H
InChIKeyJXMRVTSXNJXWKK-UHFFFAOYSA-N
XLogP11.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3,5-bis[4-([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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 23391324) is 2-[4-[3,5-bis[4-([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-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1cnc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7cccnc7s6)cc5)cc(-c5ccc(-c6nc7cccnc7s6)cc5)c4)cc3)nc2c1.
What is the InChIKey of 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is JXMRVTSXNJXWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6S3/c1-4-34-40(43-19-1)49-37(46-34)28-13-7-25(8-14-28)31-22-32(26-9-15-29(16-10-26)38-47-35-5-2-20-44-41(35)50-38)24-33(23-31)27-11-17-30(18-12-27)39-48-36-6-3-21-45-42(36)51-39/h1-24H.
What are the key properties of 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 708.90 g/mol, XLogP of 11.70, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-bis[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 23391324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).