4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C44H32N4S4 — CID 161075736

IUPAC4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1c2nc(-c3ccccc3)sc2c(C)c2nc(-c3ccccc3)sc12.Cc1c2nc(-c3ccccc3)sc2c(C)c2sc(-c3ccccc3)nc12
InChIInChI=1S/2C22H16N2S2/c1-13-17-20(26-21(23-17)15-9-5-3-6-10-15)14(2)18-19(13)25-22(24-18)16-11-7-4-8-12-16;1-13-17-19(25-21(23-17)15-9-5-3-6-10-15)14(2)20-18(13)24-22(26-20)16-11-7-4-8-12-16/h2*3-12H,1-2H3
InChIKeyUFGAOGCEWKNCCF-UHFFFAOYSA-N
MW745.04 g/mol
LogP13.71
Rot. Bonds4

About 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 161075736) has the molecular formula C44H32N4S4 and a molecular weight of 745.04 g/mol. Its IUPAC name is 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID161075736
Molecular FormulaC44H32N4S4
Molecular Weight745.04 g/mol
Exact Mass744.15
IUPAC Name4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1c2nc(-c3ccccc3)sc2c(C)c2nc(-c3ccccc3)sc12.Cc1c2nc(-c3ccccc3)sc2c(C)c2sc(-c3ccccc3)nc12
InChIInChI=1S/2C22H16N2S2/c1-13-17-20(26-21(23-17)15-9-5-3-6-10-15)14(2)18-19(13)25-22(24-18)16-11-7-4-8-12-16;1-13-17-19(25-21(23-17)15-9-5-3-6-10-15)14(2)20-18(13)24-22(26-20)16-11-7-4-8-12-16/h2*3-12H,1-2H3
InChIKeyUFGAOGCEWKNCCF-UHFFFAOYSA-N
XLogP13.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.04
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 161075736) is 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is Cc1c2nc(-c3ccccc3)sc2c(C)c2nc(-c3ccccc3)sc12.Cc1c2nc(-c3ccccc3)sc2c(C)c2sc(-c3ccccc3)nc12.
What is the InChIKey of 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is UFGAOGCEWKNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16N2S2/c1-13-17-20(26-21(23-17)15-9-5-3-6-10-15)14(2)18-19(13)25-22(24-18)16-11-7-4-8-12-16;1-13-17-19(25-21(23-17)15-9-5-3-6-10-15)14(2)20-18(13)24-22(26-20)16-11-7-4-8-12-16/h2*3-12H,1-2H3.
What are the key properties of 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 745.04 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazole;4,8-dimethyl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 161075736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).