5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole

C74H91N7O3S2 — CID 159476818

About 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole

5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole (PubChem CID 159476818) has the molecular formula C74H91N7O3S2 and a molecular weight of 1190.72 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole.

Molecular Properties

• Compound Name: 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole
• PubChem CID: 159476818
• Molecular Formula: C74H91N7O3S2
• Molecular Weight: 1190.72 g/mol
• Exact Mass: 1189.66
• IUPAC Name: 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole
• SMILES: CC(C)c1ncco1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2
• InChI: InChI=1S/2C12H15N.2C11H13NO.2C11H13NS.C6H9NO/c2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)6-7-3-4-8-6/h2*4-6,8H,7H2,1-3H3;4*4-7H,1-3H3;3-5H,1-2H3
• InChIKey: LWMFXYALLMSTCO-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 128.59 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.72
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole?

The IUPAC name of 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole (CID 159476818) is 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole.

What is the SMILES notation for 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole?

The canonical SMILES for 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole is CC(C)c1ncco1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cccc2c1CC(C(C)C)=N2.

What is the InChIKey of 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole?

The InChIKey is LWMFXYALLMSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.2C11H13NO.2C11H13NS.C6H9NO/c2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-7(2)11-12-9-6-8(3)4-5-10(9)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-5(2)6-7-3-4-8-6/h2*4-6,8H,7H2,1-3H3;4*4-7H,1-3H3;3-5H,1-2H3.

What are the key properties of 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole?

5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole has a molecular weight of 1190.72 g/mol, XLogP of 22.33, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-propan-2-yl-1,3-benzothiazole;6-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-1,3-benzoxazole;bis(4-methyl-2-propan-2-yl-3H-indole);2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 159476818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).