ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine

C244H357N23O3S6 — CID 159331153

About ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine

ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine (PubChem CID 159331153) has the molecular formula C244H357N23O3S6 and a molecular weight of 3853.10 g/mol. Its IUPAC name is ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine.

Molecular Properties

• Compound Name: ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
• PubChem CID: 159331153
• Molecular Formula: C244H357N23O3S6
• Molecular Weight: 3853.10 g/mol
• Exact Mass: 3849.68
• IUPAC Name: ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
• SMILES: C=C1C=Cc2c(cccc2C(C)C)N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)[nH]cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CN=C2.CC(C)c1cccc2c1CN=N2.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnn2ncccc12.CC(C)c1csc2cnccc12
• InChI: InChI=1S/C13H15N.C13H16O.C13H14O.C13H18.C12H17N.C11H12N2O.C11H13N.C11H12S.5C10H12N2.5C10H11NS.C9H11N3.19C2H6/c1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-7(2)8-4-3-5-9-10(8)12-6-13-11(9)14;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;2*1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)9-6-12-10-5-11-4-3-8(9)10;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;1-7(2)8-6-11-12-9(8)4-3-5-10-12;19*1-2/h4-9,14H,3H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;7-10H,3-6H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-7H,1-2H3,(H,12,13,14);3-6,8H,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;3*3-7H,1-2H3,(H,11,12);6*3-7H,1-2H3;19*1-2H3
• InChIKey: LEZIBTNJXMEYTB-UHFFFAOYSA-N
• XLogP: 78.06
• TPSA: 350.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3853.10
LogP ≤ 5	78.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine?

The IUPAC name of ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine (CID 159331153) is ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine.

What is the SMILES notation for ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine?

The canonical SMILES for ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine is C=C1C=Cc2c(cccc2C(C)C)N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(=O)[nH]cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCNC2.CC(C)c1cccc2c1CN=C2.CC(C)c1cccc2c1CN=N2.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1cnn2ncccc12.CC(C)c1csc2cnccc12.

What is the InChIKey of ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine?

The InChIKey is LEZIBTNJXMEYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H16O.C13H14O.C13H18.C12H17N.C11H12N2O.C11H13N.C11H12S.5C10H12N2.5C10H11NS.C9H11N3.19C2H6/c1-9(2)11-5-4-6-13-12(11)8-7-10(3)14-13;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-7(2)8-4-3-5-9-10(8)12-6-13-11(9)14;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-5-11-10-9(8)4-6-12-10;2*1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)9-6-12-10-5-11-4-3-8(9)10;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;1-7(2)8-6-11-12-9(8)4-3-5-10-12;19*1-2/h4-9,14H,3H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;7-10H,3-6H2,1-2H3;3-5,9,13H,6-8H2,1-2H3;3-7H,1-2H3,(H,12,13,14);3-6,8H,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;3*3-7H,1-2H3,(H,11,12);6*3-7H,1-2H3;19*1-2H3.

What are the key properties of ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine?

ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine has a molecular weight of 3853.10 g/mol, XLogP of 78.06, 19 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;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-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 159331153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).