bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline

C153H183N11O2S7 — CID 162078320

About bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline

bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline (PubChem CID 162078320) has the molecular formula C153H183N11O2S7 and a molecular weight of 2432.69 g/mol. Its IUPAC name is bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline.

Molecular Properties

• Compound Name: bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline
• PubChem CID: 162078320
• Molecular Formula: C153H183N11O2S7
• Molecular Weight: 2432.69 g/mol
• Exact Mass: 2430.26
• IUPAC Name: bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline
• SMILES: CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1
• InChI: InChI=1S/C12H13N.C12H14O.C12H16.C11H13NO.2C11H13NS.3C11H15N.C11H12S.4C10H11NS/c1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*4-7H,1-3H3;3*3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3
• InChIKey: ZBZRFUBJQIRNSF-UHFFFAOYSA-N
• XLogP: 44.41
• TPSA: 172.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.69
LogP ≤ 5	44.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline?

The IUPAC name of bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline (CID 162078320) is bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline.

What is the SMILES notation for bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline?

The canonical SMILES for bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline is CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.

What is the InChIKey of bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline?

The InChIKey is ZBZRFUBJQIRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C12H14O.C12H16.C11H13NO.2C11H13NS.3C11H15N.C11H12S.4C10H11NS/c1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9/h3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);2*4-7H,1-3H3;3*3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3.

What are the key properties of bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline?

bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline has a molecular weight of 2432.69 g/mol, XLogP of 44.41, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-ylquinoline is sourced from PubChem (CID 162078320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).