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

C45H30N6S3 — CID 59739002

IUPAC2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)c4)cc3)nc2n1
InChIInChI=1S/C45H30N6S3/c1-25-4-19-37-40(46-25)49-43(52-37)31-13-7-28(8-14-31)34-22-35(29-9-15-32(16-10-29)44-50-41-38(53-44)20-5-26(2)47-41)24-36(23-34)30-11-17-33(18-12-30)45-51-42-39(54-45)21-6-27(3)48-42/h4-24H,1-3H3
InChIKeyHGVNKGANQQRUPG-UHFFFAOYSA-N
MW750.98 g/mol
LogP12.63
Rot. Bonds6

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

2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59739002) has the molecular formula C45H30N6S3 and a molecular weight of 750.98 g/mol. Its IUPAC name is 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59739002
Molecular FormulaC45H30N6S3
Molecular Weight750.98 g/mol
Exact Mass750.17
IUPAC Name2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)c4)cc3)nc2n1
InChIInChI=1S/C45H30N6S3/c1-25-4-19-37-40(46-25)49-43(52-37)31-13-7-28(8-14-31)34-22-35(29-9-15-32(16-10-29)44-50-41-38(53-44)20-5-26(2)47-41)24-36(23-34)30-11-17-33(18-12-30)45-51-42-39(54-45)21-6-27(3)48-42/h4-24H,1-3H3
InChIKeyHGVNKGANQQRUPG-UHFFFAOYSA-N
XLogP12.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.98
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 59739002) is 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine is Cc1ccc2sc(-c3ccc(-c4cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)cc(-c5ccc(-c6nc7nc(C)ccc7s6)cc5)c4)cc3)nc2n1.
What is the InChIKey of 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is HGVNKGANQQRUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6S3/c1-25-4-19-37-40(46-25)49-43(52-37)31-13-7-28(8-14-31)34-22-35(29-9-15-32(16-10-29)44-50-41-38(53-44)20-5-26(2)47-41)24-36(23-34)30-11-17-33(18-12-30)45-51-42-39(54-45)21-6-27(3)48-42/h4-24H,1-3H3.
What are the key properties of 2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[3,5-bis[4-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 750.98 g/mol, XLogP of 12.63, 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-(5-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]-5-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59739002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).