C133H153N27S7 — CID 157068993
N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(methylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-phenylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide (PubChem CID 157068993) has the molecular formula C133H153N27S7 and a molecular weight of 2354.34 g/mol. Its IUPAC name is N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(methylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-phenylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide.
| Compound Name | N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(methylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-phenylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide |
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| PubChem CID | 157068993 |
| Molecular Formula | C133H153N27S7 |
| Molecular Weight | 2354.34 g/mol |
| Exact Mass | 2352.08 |
| IUPAC Name | N'-[1-[2-(dimethylamino)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[3-(methylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-[2-(1-methylpyrrolidin-2-yl)ethyl]indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-phenylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(2-piperidin-1-ylethyl)indol-6-yl]thiophene-2-carboximidamide;N'-[1-(3-pyrrolidin-1-ylpropyl)indol-6-yl]thiophene-2-carboximidamide |
| SMILES | CN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CN(C)CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CN1CCCC1CCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.CNCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.N/C(=N\c1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1.N/C(=N\c1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1.N/C(=N\c1ccc2ccn(CCc3ccccc3)c2c1)c1cccs1 |
| InChI | InChI=1S/C21H19N3S.3C20H24N4S.C18H22N4S.2C17H20N4S/c22-21(20-7-4-14-25-20)23-18-9-8-17-11-13-24(19(17)15-18)12-10-16-5-2-1-3-6-16;1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19;21-20(19-5-3-14-25-19)22-17-7-6-16-8-13-24(18(16)15-17)12-4-11-23-9-1-2-10-23;21-20(19-5-4-14-25-19)22-17-7-6-16-8-11-24(18(16)15-17)13-12-23-9-2-1-3-10-23;1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17;1-20(2)9-10-21-8-7-13-5-6-14(12-15(13)21)19-17(18)16-4-3-11-22-16;1-19-8-3-9-21-10-7-13-5-6-14(12-15(13)21)20-17(18)16-4-2-11-22-16/h1-9,11,13-15H,10,12H2,(H2,22,23);3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22);3,5-8,13-15H,1-2,4,9-12H2,(H2,21,22);4-8,11,14-15H,1-3,9-10,12-13H2,(H2,21,22);3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20);3-8,11-12H,9-10H2,1-2H3,(H2,18,19);2,4-7,10-12,19H,3,8-9H2,1H3,(H2,18,20) |
| InChIKey | ACEYRVHJKLANTG-UHFFFAOYSA-N |
| XLogP | 28.00 |
| TPSA | 331.40 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2354.34 |
| LogP ≤ 5 | 28.00 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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