2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole

C42H30N8S3 — CID 143423984

IUPAC2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1ccc(-c2ncc(-c3cc(-c4cnc(-c5ccc(-c6cccnc6)nc5)s4)cc(-c4cnc(C5(C)C=NC(c6cccnc6)=CC5)s4)c3)s2)cn1
InChIInChI=1S/C42H30N8S3/c1-26-7-8-29(20-45-26)39-47-22-36(51-39)31-15-32(37-23-48-40(52-37)30-9-10-34(46-21-30)27-5-3-13-43-18-27)17-33(16-31)38-24-49-41(53-38)42(2)12-11-35(50-25-42)28-6-4-14-44-19-28/h3-11,13-25H,12H2,1-2H3
InChIKeyYYXJWYFXADNYCL-UHFFFAOYSA-N
MW742.96 g/mol
LogP10.72
Rot. Bonds8

About 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole

2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole (PubChem CID 143423984) has the molecular formula C42H30N8S3 and a molecular weight of 742.96 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole
PubChem CID143423984
Molecular FormulaC42H30N8S3
Molecular Weight742.96 g/mol
Exact Mass742.18
IUPAC Name2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole
SMILESCc1ccc(-c2ncc(-c3cc(-c4cnc(-c5ccc(-c6cccnc6)nc5)s4)cc(-c4cnc(C5(C)C=NC(c6cccnc6)=CC5)s4)c3)s2)cn1
InChIInChI=1S/C42H30N8S3/c1-26-7-8-29(20-45-26)39-47-22-36(51-39)31-15-32(37-23-48-40(52-37)30-9-10-34(46-21-30)27-5-3-13-43-18-27)17-33(16-31)38-24-49-41(53-38)42(2)12-11-35(50-25-42)28-6-4-14-44-19-28/h3-11,13-25H,12H2,1-2H3
InChIKeyYYXJWYFXADNYCL-UHFFFAOYSA-N
XLogP10.72
TPSA102.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.96
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole (CID 143423984) is 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole is Cc1ccc(-c2ncc(-c3cc(-c4cnc(-c5ccc(-c6cccnc6)nc5)s4)cc(-c4cnc(C5(C)C=NC(c6cccnc6)=CC5)s4)c3)s2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole?
The InChIKey is YYXJWYFXADNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N8S3/c1-26-7-8-29(20-45-26)39-47-22-36(51-39)31-15-32(37-23-48-40(52-37)30-9-10-34(46-21-30)27-5-3-13-43-18-27)17-33(16-31)38-24-49-41(53-38)42(2)12-11-35(50-25-42)28-6-4-14-44-19-28/h3-11,13-25H,12H2,1-2H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole?
2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole has a molecular weight of 742.96 g/mol, XLogP of 10.72, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-5-[3-[2-(3-methyl-6-pyridin-3-yl-4H-pyridin-3-yl)-1,3-thiazol-5-yl]-5-[2-(6-pyridin-3-yl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 143423984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).