2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole

C101H69F18N9O9S9Si — CID 160670137

About 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole

2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole (PubChem CID 160670137) has the molecular formula C101H69F18N9O9S9Si and a molecular weight of 2211.37 g/mol. Its IUPAC name is 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole.

Molecular Properties

• Compound Name: 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole
• PubChem CID: 160670137
• Molecular Formula: C101H69F18N9O9S9Si
• Molecular Weight: 2211.37 g/mol
• Exact Mass: 2209.22
• IUPAC Name: 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole
• SMILES: Cc1cc2oc(C(F)(F)F)nc2c2ccsc12.Cc1nc2c(cc(C)c3sc(C)cc32)o1.Cc1nc2c(cc(C)c3sccc32)o1.Cc1nc2c(ccc3sc(C(F)(F)F)cc32)o1.Cc1nc2c(ccc3sc(C)cc32)o1.Cc1nc2c(ccc3sc([Si](C)(C)C)cc32)o1.Cc1nc2c(ccc3sccc32)o1.FC(F)(F)c1cc2ocnc2c2ccsc12.FC(F)(F)c1nc2c(cc(C(F)(F)F)c3sc(C(F)(F)F)cc32)o1
• InChI: InChI=1S/C13H15NOSSi.C12H2F9NOS.C12H11NOS.2C11H6F3NOS.2C11H9NOS.C10H4F3NOS.C10H7NOS/c1-8-14-13-9-7-12(17(2,3)4)16-11(9)6-5-10(13)15-8;13-10(14,15)4-2-5-7(22-9(23-5)12(19,20)21)3-1-6(11(16,17)18)24-8(3)4;1-6-4-10-11(13-8(3)14-10)9-5-7(2)15-12(6)9;1-5-15-10-6-4-9(11(12,13)14)17-8(6)3-2-7(10)16-5;1-5-4-7-8(6-2-3-17-9(5)6)15-10(16-7)11(12,13)14;1-6-5-8-10(14-6)4-3-9-11(8)12-7(2)13-9;1-6-5-9-10(12-7(2)13-9)8-3-4-14-11(6)8;11-10(12,13)6-3-7-8(14-4-15-7)5-1-2-16-9(5)6;1-6-11-10-7-4-5-13-9(7)3-2-8(10)12-6/h5-7H,1-4H3;1-2H;4-5H,1-3H3;2*2-4H,1H3;2*3-5H,1-2H3;1-4H;2-5H,1H3
• InChIKey: RMVBIDHAEXIJPI-UHFFFAOYSA-N
• XLogP: 37.43
• TPSA: 234.27 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 1
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.37
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole?

The IUPAC name of 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole (CID 160670137) is 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole.

What is the SMILES notation for 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole?

The canonical SMILES for 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole is Cc1cc2oc(C(F)(F)F)nc2c2ccsc12.Cc1nc2c(cc(C)c3sc(C)cc32)o1.Cc1nc2c(cc(C)c3sccc32)o1.Cc1nc2c(ccc3sc(C(F)(F)F)cc32)o1.Cc1nc2c(ccc3sc(C)cc32)o1.Cc1nc2c(ccc3sc([Si](C)(C)C)cc32)o1.Cc1nc2c(ccc3sccc32)o1.FC(F)(F)c1cc2ocnc2c2ccsc12.FC(F)(F)c1nc2c(cc(C(F)(F)F)c3sc(C(F)(F)F)cc32)o1.

What is the InChIKey of 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole?

The InChIKey is RMVBIDHAEXIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOSSi.C12H2F9NOS.C12H11NOS.2C11H6F3NOS.2C11H9NOS.C10H4F3NOS.C10H7NOS/c1-8-14-13-9-7-12(17(2,3)4)16-11(9)6-5-10(13)15-8;13-10(14,15)4-2-5-7(22-9(23-5)12(19,20)21)3-1-6(11(16,17)18)24-8(3)4;1-6-4-10-11(13-8(3)14-10)9-5-7(2)15-12(6)9;1-5-15-10-6-4-9(11(12,13)14)17-8(6)3-2-7(10)16-5;1-5-4-7-8(6-2-3-17-9(5)6)15-10(16-7)11(12,13)14;1-6-5-8-10(14-6)4-3-9-11(8)12-7(2)13-9;1-6-5-9-10(12-7(2)13-9)8-3-4-14-11(6)8;11-10(12,13)6-3-7-8(14-4-15-7)5-1-2-16-9(5)6;1-6-11-10-7-4-5-13-9(7)3-2-8(10)12-6/h5-7H,1-4H3;1-2H;4-5H,1-3H3;2*2-4H,1H3;2*3-5H,1-2H3;1-4H;2-5H,1H3.

What are the key properties of 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole?

2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole has a molecular weight of 2211.37 g/mol, XLogP of 37.43, 1 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylthieno[3,2-e][1,3]benzoxazole;2,7-dimethylthieno[3,2-e][1,3]benzoxazole;2-methylthieno[3,2-e][1,3]benzoxazole;2-methyl-7-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-methyl-2-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;5-(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole;trimethyl-(2-methylthieno[3,2-e][1,3]benzoxazol-7-yl)silane;2,5,7-trimethylthieno[3,2-e][1,3]benzoxazole;2,5,7-tris(trifluoromethyl)thieno[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 160670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).