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

C142H176N14O5S5 — CID 157340319

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

bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole (PubChem CID 157340319) has the molecular formula C142H176N14O5S5 and a molecular weight of 2319.40 g/mol. Its IUPAC name is bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole.

Molecular Properties

• Compound Name: bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole
• PubChem CID: 157340319
• Molecular Formula: C142H176N14O5S5
• Molecular Weight: 2319.40 g/mol
• Exact Mass: 2317.26
• IUPAC Name: bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole
• SMILES: CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC1=CN=C(C(C)C)C1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1
• InChI: InChI=1S/2C12H15N.3C11H13NO.3C11H13NS.C11H13N.C10H11NO.C10H11NS.C8H13N.C7H11NS.C6H9NO/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;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;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*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;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h2*4-6,8H,7H2,1-3H3;6*4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3
• InChIKey: BGHXQNAPGKWPCZ-UHFFFAOYSA-N
• XLogP: 43.63
• TPSA: 244.04 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.40
LogP ≤ 5	43.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole (CID 157340319) is bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole.

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

The canonical SMILES for bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole is CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC1=CN=C(C(C)C)C1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)oc2c1.Cc1ccc2nc(C(C)C)sc2c1.Cc1ccc2oc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1ccc2sc(C(C)C)nc2c1.Cc1cccc2c1CC(C(C)C)=N2.Cc1cnc(C(C)C)s1.

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

The InChIKey is BGHXQNAPGKWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.3C11H13NO.3C11H13NS.C11H13N.C10H11NO.C10H11NS.C8H13N.C7H11NS.C6H9NO/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;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;2*1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;2*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;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-4-7(3)5-9-8;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6/h2*4-6,8H,7H2,1-3H3;6*4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;5-6H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3.

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

bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole has a molecular weight of 2319.40 g/mol, XLogP of 43.63, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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;bis(6-methyl-2-propan-2-yl-1,3-benzoxazole);4-methyl-2-propan-2-yl-3H-indole;6-methyl-2-propan-2-yl-3H-indole;4-methyl-2-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole;2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 157340319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).