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

C42H24N6S3 — CID 23391270

IUPAC2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3cccnc3s2)c(-c2cc(-c3ccccc3-c3nc4cccnc4s3)cc(-c3ccccc3-c3nc4cccnc4s3)c2)c1
InChIInChI=1S/C42H24N6S3/c1-4-13-31(37-46-34-16-7-19-43-40(34)49-37)28(10-1)25-22-26(29-11-2-5-14-32(29)38-47-35-17-8-20-44-41(35)50-38)24-27(23-25)30-12-3-6-15-33(30)39-48-36-18-9-21-45-42(36)51-39/h1-24H
InChIKeyIFZOSCXFTQMBBT-UHFFFAOYSA-N
MW708.90 g/mol
LogP11.70
Rot. Bonds6

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

2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 23391270) has the molecular formula C42H24N6S3 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID23391270
Molecular FormulaC42H24N6S3
Molecular Weight708.90 g/mol
Exact Mass708.12
IUPAC Name2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESc1ccc(-c2nc3cccnc3s2)c(-c2cc(-c3ccccc3-c3nc4cccnc4s3)cc(-c3ccccc3-c3nc4cccnc4s3)c2)c1
InChIInChI=1S/C42H24N6S3/c1-4-13-31(37-46-34-16-7-19-43-40(34)49-37)28(10-1)25-22-26(29-11-2-5-14-32(29)38-47-35-17-8-20-44-41(35)50-38)24-27(23-25)30-12-3-6-15-33(30)39-48-36-18-9-21-45-42(36)51-39/h1-24H
InChIKeyIFZOSCXFTQMBBT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 23391270) is 2-[2-[3,5-bis[2-([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-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is c1ccc(-c2nc3cccnc3s2)c(-c2cc(-c3ccccc3-c3nc4cccnc4s3)cc(-c3ccccc3-c3nc4cccnc4s3)c2)c1.
What is the InChIKey of 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is IFZOSCXFTQMBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6S3/c1-4-13-31(37-46-34-16-7-19-43-40(34)49-37)28(10-1)25-22-26(29-11-2-5-14-32(29)38-47-35-17-8-20-44-41(35)50-38)24-27(23-25)30-12-3-6-15-33(30)39-48-36-18-9-21-45-42(36)51-39/h1-24H.
What are the key properties of 2-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[2-[3,5-bis[2-([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-[2-[3,5-bis[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 23391270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).