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

C22H16N2O2S2 — CID 58983612

IUPAC2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3cc4nc(-c5ccc(OC)cc5)sc4cc3s2)cc1
InChIInChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-18-20(12-19(17)27-21)28-22(24-18)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3
InChIKeyQAYCYEVDVKTCDR-UHFFFAOYSA-N
MW404.52 g/mol
LogP6.26
Rot. Bonds4

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

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole (PubChem CID 58983612) 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[4,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
PubChem CID58983612
Molecular FormulaC22H16N2O2S2
Molecular Weight404.52 g/mol
Exact Mass404.07
IUPAC Name2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3cc4nc(-c5ccc(OC)cc5)sc4cc3s2)cc1
InChIInChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-18-20(12-19(17)27-21)28-22(24-18)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3
InChIKeyQAYCYEVDVKTCDR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
5-methoxy-2-[4-[(E)-2-(4-nitrosophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 88927246
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole (CID 58983612) is 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole is COc1ccc(-c2nc3cc4nc(-c5ccc(OC)cc5)sc4cc3s2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The InChIKey is QAYCYEVDVKTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S2/c1-25-15-7-3-13(4-8-15)21-23-17-11-18-20(12-19(17)27-21)28-22(24-18)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[4,5-f][1,3]benzothiazole?
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-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[4,5-f][1,3]benzothiazole is sourced from PubChem (CID 58983612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).