2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole

C45H28Cl2N6OS5 — CID 173203305

IUPAC2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CSC(c4nc(-c5cccc(Cl)c5)c(-c5nc(-c6nc(-c7ccccn7)cs6)c(-c6ccccc6)s5)s4)=C3c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C45H28Cl2N6OS5/c1-54-32-19-15-26(16-20-32)34-23-56-45(50-34)53-25-57-41(38(53)27-13-17-30(46)18-14-27)44-51-36(29-10-7-11-31(47)22-29)40(59-44)43-52-37(39(58-43)28-8-3-2-4-9-28)42-49-35(24-55-42)33-12-5-6-21-48-33/h2-24H,25H2,1H3
InChIKeyGLJKMCJJEMLHFB-UHFFFAOYSA-N
MW900.00 g/mol
LogP14.26
Rot. Bonds10

About 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole

2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 173203305) has the molecular formula C45H28Cl2N6OS5 and a molecular weight of 900.00 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID173203305
Molecular FormulaC45H28Cl2N6OS5
Molecular Weight900.00 g/mol
Exact Mass898.03
IUPAC Name2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(N3CSC(c4nc(-c5cccc(Cl)c5)c(-c5nc(-c6nc(-c7ccccn7)cs6)c(-c6ccccc6)s5)s4)=C3c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C45H28Cl2N6OS5/c1-54-32-19-15-26(16-20-32)34-23-56-45(50-34)53-25-57-41(38(53)27-13-17-30(46)18-14-27)44-51-36(29-10-7-11-31(47)22-29)40(59-44)43-52-37(39(58-43)28-8-3-2-4-9-28)42-49-35(24-55-42)33-12-5-6-21-48-33/h2-24H,25H2,1H3
InChIKeyGLJKMCJJEMLHFB-UHFFFAOYSA-N
XLogP14.26
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.00
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole (CID 173203305) is 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole is COc1ccc(-c2csc(N3CSC(c4nc(-c5cccc(Cl)c5)c(-c5nc(-c6nc(-c7ccccn7)cs6)c(-c6ccccc6)s5)s4)=C3c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is GLJKMCJJEMLHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28Cl2N6OS5/c1-54-32-19-15-26(16-20-32)34-23-56-45(50-34)53-25-57-41(38(53)27-13-17-30(46)18-14-27)44-51-36(29-10-7-11-31(47)22-29)40(59-44)43-52-37(39(58-43)28-8-3-2-4-9-28)42-49-35(24-55-42)33-12-5-6-21-48-33/h2-24H,25H2,1H3.
What are the key properties of 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole?
2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 900.00 g/mol, XLogP of 14.26, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-1,3-thiazol-5-yl]-1,3-thiazol-5-yl]-5-phenyl-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 173203305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).