4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole

C40H30N8O2S2 — CID 101483651

IUPAC4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccc(COCc4cccc(-c5cccc(COCc6cccc(-c7nc(-c8ccccn8)cs7)n6)n5)n4)n3)n2)nc1
InChIInChI=1S/C40H30N8O2S2/c1-3-19-41-31(13-1)37-25-51-39(47-37)35-17-7-11-29(45-35)23-49-21-27-9-5-15-33(43-27)34-16-6-10-28(44-34)22-50-24-30-12-8-18-36(46-30)40-48-38(26-52-40)32-14-2-4-20-42-32/h1-20,25-26H,21-24H2
InChIKeyZJCGPZSDYMBYBJ-UHFFFAOYSA-N
MW718.87 g/mol
LogP8.74
Rot. Bonds13

About 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole

4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole (PubChem CID 101483651) has the molecular formula C40H30N8O2S2 and a molecular weight of 718.87 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole
PubChem CID101483651
Molecular FormulaC40H30N8O2S2
Molecular Weight718.87 g/mol
Exact Mass718.19
IUPAC Name4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole
SMILESc1ccc(-c2csc(-c3cccc(COCc4cccc(-c5cccc(COCc6cccc(-c7nc(-c8ccccn8)cs7)n6)n5)n4)n3)n2)nc1
InChIInChI=1S/C40H30N8O2S2/c1-3-19-41-31(13-1)37-25-51-39(47-37)35-17-7-11-29(45-35)23-49-21-27-9-5-15-33(43-27)34-16-6-10-28(44-34)22-50-24-30-12-8-18-36(46-30)40-48-38(26-52-40)32-14-2-4-20-42-32/h1-20,25-26H,21-24H2
InChIKeyZJCGPZSDYMBYBJ-UHFFFAOYSA-N
XLogP8.74
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.87
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole (CID 101483651) is 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole is c1ccc(-c2csc(-c3cccc(COCc4cccc(-c5cccc(COCc6cccc(-c7nc(-c8ccccn8)cs7)n6)n5)n4)n3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is ZJCGPZSDYMBYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N8O2S2/c1-3-19-41-31(13-1)37-25-51-39(47-37)35-17-7-11-29(45-35)23-49-21-27-9-5-15-33(43-27)34-16-6-10-28(44-34)22-50-24-30-12-8-18-36(46-30)40-48-38(26-52-40)32-14-2-4-20-42-32/h1-20,25-26H,21-24H2.
What are the key properties of 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole?
4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 718.87 g/mol, XLogP of 8.74, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[6-[[6-[6-[[6-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-pyridinyl]methoxymethyl]-2-pyridinyl]-2-pyridinyl]methoxymethyl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 101483651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).