N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine

C126H160N18OS6 — CID 161215471

IUPACN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
SMILESC.C.C.C.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(CC(=S)CC(=O)c4ccccc4)cc23)CC1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)SCC.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN3CCCCC3)c2c1)c1cccs1
InChIInChI=1S/C24H24N2OS.C22H27N3S.C21H25N3S.C19H23N3S.C18H22N4S.C18H23N3S.4CH4/c1-26-11-9-18(10-12-26)22-16-25-23-8-7-17(14-21(22)23)13-20(28)15-24(27)19-5-3-2-4-6-19;23-20(22-7-5-13-26-22)15-17-8-9-21-19(14-17)18(16-24-21)6-4-12-25-10-2-1-3-11-25;1-2-24-9-7-16(8-10-24)18-14-23-20-6-5-15(12-17(18)20)13-19(22)21-4-3-11-25-21;1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-22(2)8-7-14-12-20-16-6-5-13(10-15(14)16)11-21-18(19)17-4-3-9-23-17;1-3-22-18(19)11-13-4-5-17-15(10-13)16(12-20-17)14-6-8-21(2)9-7-14;;;;/h2-9,14,16,25H,10-13,15H2,1H3;5,7-9,13-14,16,23-24H,1-4,6,10-12,15H2;3-6,11-12,14,16,22-23H,2,7-10,13H2,1H3;4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10,12,19-20H,3,7-9,11H2,1-2H3;4*1H4/b;23-20-;22-19-;20-17-;;19-18-;;;;
InChIKeyUWULIYARKWKYEU-DRWKYEIWSA-N
MW2135.19 g/mol
LogP29.65
Rot. Bonds35

About N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine

N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine (PubChem CID 161215471) has the molecular formula C126H160N18OS6 and a molecular weight of 2135.19 g/mol. Its IUPAC name is N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
PubChem CID161215471
Molecular FormulaC126H160N18OS6
Molecular Weight2135.19 g/mol
Exact Mass2133.13
IUPAC NameN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
SMILESC.C.C.C.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(CC(=S)CC(=O)c4ccccc4)cc23)CC1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)SCC.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN3CCCCC3)c2c1)c1cccs1
InChIInChI=1S/C24H24N2OS.C22H27N3S.C21H25N3S.C19H23N3S.C18H22N4S.C18H23N3S.4CH4/c1-26-11-9-18(10-12-26)22-16-25-23-8-7-17(14-21(22)23)13-20(28)15-24(27)19-5-3-2-4-6-19;23-20(22-7-5-13-26-22)15-17-8-9-21-19(14-17)18(16-24-21)6-4-12-25-10-2-1-3-11-25;1-2-24-9-7-16(8-10-24)18-14-23-20-6-5-15(12-17(18)20)13-19(22)21-4-3-11-25-21;1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-22(2)8-7-14-12-20-16-6-5-13(10-15(14)16)11-21-18(19)17-4-3-9-23-17;1-3-22-18(19)11-13-4-5-17-15(10-13)16(12-20-17)14-6-8-21(2)9-7-14;;;;/h2-9,14,16,25H,10-13,15H2,1H3;5,7-9,13-14,16,23-24H,1-4,6,10-12,15H2;3-6,11-12,14,16,22-23H,2,7-10,13H2,1H3;4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10,12,19-20H,3,7-9,11H2,1-2H3;4*1H4/b;23-20-;22-19-;20-17-;;19-18-;;;;
InChIKeyUWULIYARKWKYEU-DRWKYEIWSA-N
XLogP29.65
TPSA265.03 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002135.19
LogP ≤ 529.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The IUPAC name of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine (CID 161215471) is N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine.
What is the SMILES notation for N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The canonical SMILES for N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine is C.C.C.C.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(CC(=S)CC(=O)c4ccccc4)cc23)CC1.[H]/N=C(/Cc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1)SCC.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(CC)CC3)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN(C)C)c2c1)c1cccs1.[H]/N=C(/Cc1ccc2[nH]cc(CCCN3CCCCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
The InChIKey is UWULIYARKWKYEU-DRWKYEIWSA-N. The full InChI is InChI=1S/C24H24N2OS.C22H27N3S.C21H25N3S.C19H23N3S.C18H22N4S.C18H23N3S.4CH4/c1-26-11-9-18(10-12-26)22-16-25-23-8-7-17(14-21(22)23)13-20(28)15-24(27)19-5-3-2-4-6-19;23-20(22-7-5-13-26-22)15-17-8-9-21-19(14-17)18(16-24-21)6-4-12-25-10-2-1-3-11-25;1-2-24-9-7-16(8-10-24)18-14-23-20-6-5-15(12-17(18)20)13-19(22)21-4-3-11-25-21;1-22(2)9-3-5-15-13-21-18-8-7-14(11-16(15)18)12-17(20)19-6-4-10-23-19;1-22(2)8-7-14-12-20-16-6-5-13(10-15(14)16)11-21-18(19)17-4-3-9-23-17;1-3-22-18(19)11-13-4-5-17-15(10-13)16(12-20-17)14-6-8-21(2)9-7-14;;;;/h2-9,14,16,25H,10-13,15H2,1H3;5,7-9,13-14,16,23-24H,1-4,6,10-12,15H2;3-6,11-12,14,16,22-23H,2,7-10,13H2,1H3;4,6-8,10-11,13,20-21H,3,5,9,12H2,1-2H3;3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10,12,19-20H,3,7-9,11H2,1-2H3;4*1H4/b;23-20-;22-19-;20-17-;;19-18-;;;;.
What are the key properties of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine?
N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine has a molecular weight of 2135.19 g/mol, XLogP of 29.65, 35 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;ethyl 2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimidothioate;2-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylpropan-1-amine;methane;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1-phenyl-3-sulfanylidenebutan-1-one;2-[3-(3-piperidin-1-ylpropyl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine is sourced from PubChem (CID 161215471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).