2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C30H22N2S2 — CID 166805666

IUPAC2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1ccc(Cc2ccc(-c3nc4sc(-c5ccc(Cc6ccccc6)cc5)nc4s3)cc2)cc1
InChIInChI=1S/C30H22N2S2/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-31-29-30(33-27)32-28(34-29)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKeyNFPUKORFULYMDQ-UHFFFAOYSA-N
MW474.65 g/mol
LogP8.27
Rot. Bonds6

About 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 166805666) has the molecular formula C30H22N2S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID166805666
Molecular FormulaC30H22N2S2
Molecular Weight474.65 g/mol
Exact Mass474.12
IUPAC Name2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESc1ccc(Cc2ccc(-c3nc4sc(-c5ccc(Cc6ccccc6)cc5)nc4s3)cc2)cc1
InChIInChI=1S/C30H22N2S2/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-31-29-30(33-27)32-28(34-29)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2
InChIKeyNFPUKORFULYMDQ-UHFFFAOYSA-N
XLogP8.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(4-benzylphenyl)benzene
CID 58251041
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
4-[5-(4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
CID 716380
phenyl(113C)methylbenzene
CID 11194569
4-(4-benzylphenyl)pyridine
CID 174553937
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
4-(5-benzyl-1,3-thiazol-2-yl)aniline
CID 135222578
4,5-dibenzyl-2-[(4,5-dibenzyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
CID 54531309

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 166805666) is 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is c1ccc(Cc2ccc(-c3nc4sc(-c5ccc(Cc6ccccc6)cc5)nc4s3)cc2)cc1.
What is the InChIKey of 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is NFPUKORFULYMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2S2/c1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-31-29-30(33-27)32-28(34-29)26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-18H,19-20H2.
What are the key properties of 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 474.65 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 166805666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).