4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole

C44H34N4OS4 — CID 139884974

IUPAC4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole
SMILESCSc1ccc(-c2nc(-c3ccc(Oc4ccc(-c5nc(-c6ccc(SC)cc6)sc5-c5ccncc5)cc4C)c(C)c3)c(-c3ccncc3)s2)cc1
InChIInChI=1S/C44H34N4OS4/c1-27-25-33(39-41(29-17-21-45-22-18-29)52-43(47-39)31-5-11-35(50-3)12-6-31)9-15-37(27)49-38-16-10-34(26-28(38)2)40-42(30-19-23-46-24-20-30)53-44(48-40)32-7-13-36(51-4)14-8-32/h5-26H,1-4H3
InChIKeyPXUIHEAJYPIBDI-UHFFFAOYSA-N
MW763.05 g/mol
LogP13.24
Rot. Bonds10

About 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole

4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole (PubChem CID 139884974) has the molecular formula C44H34N4OS4 and a molecular weight of 763.05 g/mol. Its IUPAC name is 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole
PubChem CID139884974
Molecular FormulaC44H34N4OS4
Molecular Weight763.05 g/mol
Exact Mass762.16
IUPAC Name4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole
SMILESCSc1ccc(-c2nc(-c3ccc(Oc4ccc(-c5nc(-c6ccc(SC)cc6)sc5-c5ccncc5)cc4C)c(C)c3)c(-c3ccncc3)s2)cc1
InChIInChI=1S/C44H34N4OS4/c1-27-25-33(39-41(29-17-21-45-22-18-29)52-43(47-39)31-5-11-35(50-3)12-6-31)9-15-37(27)49-38-16-10-34(26-28(38)2)40-42(30-19-23-46-24-20-30)53-44(48-40)32-7-13-36(51-4)14-8-32/h5-26H,1-4H3
InChIKeyPXUIHEAJYPIBDI-UHFFFAOYSA-N
XLogP13.24
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.05
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
Pyridine, 3-(4-(4-methoxyphenyl)-2-phenyl-5-thiazolyl)-
CID 3024899
2-(2-Propyl-4-pyridyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]thiazole
CID 118709522
4-(4-Methoxyphenyl)-2-[4-(2-phenyl-1,3-thiazol-5-yl)phenyl]-1,3-thiazole
CID 177647917
4-[[3,5-Bis[(5-phenyl-2-pyridin-2-yl-1,3-thiazol-4-yl)oxymethyl]phenyl]methoxy]-5-phenyl-2-pyridin-2-yl-1,3-thiazole
CID 101507196
2-[4-(4-Ethoxy-3-methylphenyl)butyl]-4-(6-fluoro-3-pyridinyl)-5-(4-phenylphenyl)-1,3-thiazole
CID 143147297
2-[[2-[2-[1-(2,2-Dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
CID 147265980
2-[2-Methoxy-5-[4-[3,3,4,4,5,5,6,6-octafluoro-2-[5-(4-methoxy-3-pyridin-2-ylphenyl)thiophen-3-yl]cyclohexen-1-yl]thiophen-2-yl]phenyl]pyridine
CID 166754522
4-(1-Adamantyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 2747389
4-Pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
CID 23248330
4-Pyridin-4-yl-2-[4-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
CID 101760018

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole (CID 139884974) is 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole is CSc1ccc(-c2nc(-c3ccc(Oc4ccc(-c5nc(-c6ccc(SC)cc6)sc5-c5ccncc5)cc4C)c(C)c3)c(-c3ccncc3)s2)cc1.
What is the InChIKey of 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole?
The InChIKey is PXUIHEAJYPIBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4OS4/c1-27-25-33(39-41(29-17-21-45-22-18-29)52-43(47-39)31-5-11-35(50-3)12-6-31)9-15-37(27)49-38-16-10-34(26-28(38)2)40-42(30-19-23-46-24-20-30)53-44(48-40)32-7-13-36(51-4)14-8-32/h5-26H,1-4H3.
What are the key properties of 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole?
4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole has a molecular weight of 763.05 g/mol, XLogP of 13.24, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-[2-methyl-4-[2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]phenoxy]phenyl]-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 139884974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).