N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide

C115H136N24O2S6 — CID 159288103

IUPACN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CCS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CN(C)CCCc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc23)CC1.N/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1
InChIInChI=1S/C22H22N4OS.C20H24N4OS.C20H24N4S.2C18H22N4S.C17H22N4S/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16;21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24;1-2-24-9-7-14(8-10-24)17-13-22-18-6-5-15(12-16(17)18)23-20(21)19-4-3-11-25-19;1-22(2)9-3-5-13-12-20-16-8-7-14(11-15(13)16)21-18(19)17-6-4-10-23-17;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;1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28);2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23);3-6,11-14,22H,2,7-10H2,1H3,(H2,21,23);4,6-8,10-12,20H,3,5,9H2,1-2H3,(H2,19,21);3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20)
InChIKeyKZTNGLMVEIQYMF-UHFFFAOYSA-N
MW2078.92 g/mol
LogP22.60
Rot. Bonds28

About N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide

N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide (PubChem CID 159288103) has the molecular formula C115H136N24O2S6 and a molecular weight of 2078.92 g/mol. Its IUPAC name is N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
PubChem CID159288103
Molecular FormulaC115H136N24O2S6
Molecular Weight2078.92 g/mol
Exact Mass2076.96
IUPAC NameN'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide
SMILESCCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CCS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CN(C)CCCc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc23)CC1.N/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1
InChIInChI=1S/C22H22N4OS.C20H24N4OS.C20H24N4S.2C18H22N4S.C17H22N4S/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16;21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24;1-2-24-9-7-14(8-10-24)17-13-22-18-6-5-15(12-16(17)18)23-20(21)19-4-3-11-25-19;1-22(2)9-3-5-13-12-20-16-8-7-14(11-15(13)16)21-18(19)17-6-4-10-23-17;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;1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28);2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23);3-6,11-14,22H,2,7-10H2,1H3,(H2,21,23);4,6-8,10-12,20H,3,5,9H2,1-2H3,(H2,19,21);3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20)
InChIKeyKZTNGLMVEIQYMF-UHFFFAOYSA-N
XLogP22.60
TPSA356.44 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.92
LogP ≤ 522.60
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'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;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide 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;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide (CID 159288103) is N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide is CCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4cccs4)cc23)CC1.CCS/C(N)=N\c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CN(C)CCCc1c[nH]c2ccc(/N=C(\N)c3cccs3)cc12.CN(C)CCc1c[nH]c2ccc(C/N=C(\N)c3cccs3)cc12.CN1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc23)CC1.N/C(=N\c1ccc2[nH]cc(CCCN3CCOCC3)c2c1)c1cccs1.
What is the InChIKey of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
The InChIKey is KZTNGLMVEIQYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS.C20H24N4OS.C20H24N4S.2C18H22N4S.C17H22N4S/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16;21-20(19-4-2-12-26-19)23-16-5-6-18-17(13-16)15(14-22-18)3-1-7-24-8-10-25-11-9-24;1-2-24-9-7-14(8-10-24)17-13-22-18-6-5-15(12-16(17)18)23-20(21)19-4-3-11-25-19;1-22(2)9-3-5-13-12-20-16-8-7-14(11-15(13)16)21-18(19)17-6-4-10-23-17;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;1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28);2,4-6,12-14,22H,1,3,7-11H2,(H2,21,23);3-6,11-14,22H,2,7-10H2,1H3,(H2,21,23);4,6-8,10-12,20H,3,5,9H2,1-2H3,(H2,19,21);3-6,9-10,12,20H,7-8,11H2,1-2H3,(H2,19,21);4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20).
What are the key properties of N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide?
N'-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]thiophene-2-carboximidamide;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide has a molecular weight of 2078.92 g/mol, XLogP of 22.60, 28 rotatable bonds, 13 hydrogen bond donors, and 19 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;N'-[3-[3-(dimethylamino)propyl]-1H-indol-5-yl]thiophene-2-carboximidamide;ethyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N-[[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamothioyl]benzamide;N'-[3-(3-morpholin-4-ylpropyl)-1H-indol-5-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 159288103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).