5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole

C70H86ClN7O2S3 — CID 157107581

About 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole

5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole (PubChem CID 157107581) has the molecular formula C70H86ClN7O2S3 and a molecular weight of 1189.16 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole
• PubChem CID: 157107581
• Molecular Formula: C70H86ClN7O2S3
• Molecular Weight: 1189.16 g/mol
• Exact Mass: 1187.57
• IUPAC Name: 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole
• SMILES: CC(C)Cc1nc2cc(Cl)ccc2s1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2o1.CCc1ccc2nc(CC(C)C)sc2c1.Cc1ccc2nc(CC(C)C)sc2c1.Cc1cccc2nc(CC(C)C)oc12
• InChI: InChI=1S/C13H17NS.C12H15NO.C12H15NS.C11H12ClNS.C11H14N2.C11H13NO/c1-4-10-5-6-11-12(8-10)15-13(14-11)7-9(2)3;1-8(2)7-11-13-10-6-4-5-9(3)12(10)14-11;1-8(2)6-12-13-10-5-4-9(3)7-11(10)14-12;1-7(2)5-11-13-9-6-8(12)3-4-10(9)14-11;2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h5-6,8-9H,4,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3
• InChIKey: AGLYPLBEUOVJQG-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 119.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.16
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole?

The IUPAC name of 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole (CID 157107581) is 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole.

What is the SMILES notation for 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole?

The canonical SMILES for 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole is CC(C)Cc1nc2cc(Cl)ccc2s1.CC(C)Cc1nc2ccccc2[nH]1.CC(C)Cc1nc2ccccc2o1.CCc1ccc2nc(CC(C)C)sc2c1.Cc1ccc2nc(CC(C)C)sc2c1.Cc1cccc2nc(CC(C)C)oc12.

What is the InChIKey of 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole?

The InChIKey is AGLYPLBEUOVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C12H15NO.C12H15NS.C11H12ClNS.C11H14N2.C11H13NO/c1-4-10-5-6-11-12(8-10)15-13(14-11)7-9(2)3;1-8(2)7-11-13-10-6-4-5-9(3)12(10)14-11;1-8(2)6-12-13-10-5-4-9(3)7-11(10)14-12;1-7(2)5-11-13-9-6-8(12)3-4-10(9)14-11;2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h5-6,8-9H,4,7H2,1-3H3;4-6,8H,7H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3.

What are the key properties of 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole?

5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole has a molecular weight of 1189.16 g/mol, XLogP of 21.13, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;6-ethyl-2-(2-methylpropyl)-1,3-benzothiazole;6-methyl-2-(2-methylpropyl)-1,3-benzothiazole;7-methyl-2-(2-methylpropyl)-1,3-benzoxazole;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole is sourced from PubChem (CID 157107581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).