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

C26H24N2S2 — CID 17325445

IUPAC2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC(C)c1ccc(-c2nc3cc4sc(-c5ccc(C(C)C)cc5)nc4cc3s2)cc1
InChIInChI=1S/C26H24N2S2/c1-15(2)17-5-9-19(10-6-17)25-27-21-13-24-22(14-23(21)29-25)28-26(30-24)20-11-7-18(8-12-20)16(3)4/h5-16H,1-4H3
InChIKeyQTOACWVXFXPABV-UHFFFAOYSA-N
MW428.63 g/mol
LogP8.49
Rot. Bonds4

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

2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 17325445) has the molecular formula C26H24N2S2 and a molecular weight of 428.63 g/mol. Its IUPAC name is 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID17325445
Molecular FormulaC26H24N2S2
Molecular Weight428.63 g/mol
Exact Mass428.14
IUPAC Name2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC(C)c1ccc(-c2nc3cc4sc(-c5ccc(C(C)C)cc5)nc4cc3s2)cc1
InChIInChI=1S/C26H24N2S2/c1-15(2)17-5-9-19(10-6-17)25-27-21-13-24-22(14-23(21)29-25)28-26(30-24)20-11-7-18(8-12-20)16(3)4/h5-16H,1-4H3
InChIKeyQTOACWVXFXPABV-UHFFFAOYSA-N
XLogP8.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.63
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 101175116
(2R)-2-[2-(4-methylphenyl)-1,3-benzothiazol-5-yl]propanoic acid
CID 125494301
2-cyclohexyl-5-propan-2-yl-1,3-benzothiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3-benzothiazole
CID 159641452
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887760
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858964
2-propan-2-yl-6-[5-(4-propan-2-ylphenyl)thiophen-2-yl]-1H-benzimidazole
CID 59610419
N-[[4-ethyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841372

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 17325445) is 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is CC(C)c1ccc(-c2nc3cc4sc(-c5ccc(C(C)C)cc5)nc4cc3s2)cc1.
What is the InChIKey of 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is QTOACWVXFXPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2S2/c1-15(2)17-5-9-19(10-6-17)25-27-21-13-24-22(14-23(21)29-25)28-26(30-24)20-11-7-18(8-12-20)16(3)4/h5-16H,1-4H3.
What are the key properties of 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 428.63 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 17325445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).