2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C22H16N2O2S2 — CID 71107991

IUPAC2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3cc4sc(-c5ccc(OC)cc5)nc4cc3s2)cc1
InChIInChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-20-18(12-19(17)27-21)24-22(28-20)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3
InChIKeyNZZKYWQQVFGILF-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.26
Rot. Bonds4

About 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 71107991) has the molecular formula C22H16N2O2S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID71107991
Molecular FormulaC22H16N2O2S2
Molecular Weight404.52 g/mol
Exact Mass404.07
IUPAC Name2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3cc4sc(-c5ccc(OC)cc5)nc4cc3s2)cc1
InChIInChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-20-18(12-19(17)27-21)24-22(28-20)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3
InChIKeyNZZKYWQQVFGILF-UHFFFAOYSA-N
XLogP6.26
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 71107991) is 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is COc1ccc(-c2nc3cc4sc(-c5ccc(OC)cc5)nc4cc3s2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is NZZKYWQQVFGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-20-18(12-19(17)27-21)24-22(28-20)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 404.52 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 71107991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).