benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate

C92H109N13O2S4 — CID 161031044

IUPACbenzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate
SMILESC.C.CN1CCC(c2c[nH]c3ccc(CCc4ccccc4)cc23)C1.CN1CCC(c2c[nH]c3ccc(N)cc23)C1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1cccs1.[H]/N=C(\SC)c1cccs1.[H]/N=C(\SCc1ccccc1)c1ccco1
InChIInChI=1S/C21H24N2.C19H21N3O.C19H21N3S.C13H17N3.C12H11NOS.C6H7NS2.2CH4/c1-23-12-11-18(15-23)20-14-22-21-10-9-17(13-19(20)21)8-7-16-5-3-2-4-6-16;2*1-22-7-6-14(12-22)16-11-21-18-5-4-13(9-15(16)18)10-17(20)19-3-2-8-23-19;1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13;13-12(11-7-4-8-14-11)15-9-10-5-2-1-3-6-10;1-8-6(7)5-3-2-4-9-5;;/h2-6,9-10,13-14,18,22H,7-8,11-12,15H2,1H3;2*2-5,8-9,11,14,20-21H,6-7,10,12H2,1H3;2-3,6-7,9,15H,4-5,8,14H2,1H3;1-8,13H,9H2;2-4,7H,1H3;2*1H4/b;2*20-17-;;13-12-;7-6-;;
InChIKeyTZPSQDOCWTVQOG-YZKIRIPGSA-N
MW1557.24 g/mol
LogP21.84
Rot. Bonds17

About benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate

benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate (PubChem CID 161031044) has the molecular formula C92H109N13O2S4 and a molecular weight of 1557.24 g/mol. Its IUPAC name is benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate.

Molecular Properties

Compound Namebenzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate
PubChem CID161031044
Molecular FormulaC92H109N13O2S4
Molecular Weight1557.24 g/mol
Exact Mass1555.77
IUPAC Namebenzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate
SMILESC.C.CN1CCC(c2c[nH]c3ccc(CCc4ccccc4)cc23)C1.CN1CCC(c2c[nH]c3ccc(N)cc23)C1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1cccs1.[H]/N=C(\SC)c1cccs1.[H]/N=C(\SCc1ccccc1)c1ccco1
InChIInChI=1S/C21H24N2.C19H21N3O.C19H21N3S.C13H17N3.C12H11NOS.C6H7NS2.2CH4/c1-23-12-11-18(15-23)20-14-22-21-10-9-17(13-19(20)21)8-7-16-5-3-2-4-6-16;2*1-22-7-6-14(12-22)16-11-21-18-5-4-13(9-15(16)18)10-17(20)19-3-2-8-23-19;1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13;13-12(11-7-4-8-14-11)15-9-10-5-2-1-3-6-10;1-8-6(7)5-3-2-4-9-5;;/h2-6,9-10,13-14,18,22H,7-8,11-12,15H2,1H3;2*2-5,8-9,11,14,20-21H,6-7,10,12H2,1H3;2-3,6-7,9,15H,4-5,8,14H2,1H3;1-8,13H,9H2;2-4,7H,1H3;2*1H4/b;2*20-17-;;13-12-;7-6-;;
InChIKeyTZPSQDOCWTVQOG-YZKIRIPGSA-N
XLogP21.84
TPSA223.82 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.24
LogP ≤ 521.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate with MolForge

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Related Compounds

cumene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-yl-1-benzofuran;3-methyl-2-propan-2-yl-1-benzothiophene;3-methyl-2-propan-2-ylfuran;3-methyl-2-propan-2-yl-1H-indole;3-methyl-2-propan-2-ylthiophene;3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-indole;2-methylpropylbenzene;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylfuran;2-propan-2-yl-1H-indole;3-propan-2-ylphenol;2-propan-2-yl-3-(2-pyridin-4-ylethyl)-1H-indole;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 158835435
2-(5-dibenzofuran-4-yl-1H-indol-3-yl)ethanamine;2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine;2-[5-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]ethanamine;trihydrochloride
CID 160348180
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
N'-[1-[[4-[5-[[amino(thiophen-2-yl)methylidene]amino]-1H-indol-3-yl]cyclohexyl]-methylamino]-3-(1-methylpyrrolidin-3-yl)indol-5-yl]furan-2-carboximidamide
CID 88972142
benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine
CID 123190912
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
5-[8-(1-Benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran
CID 123292338
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;2-[3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123724688
1-(furan-2-yl)-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanimine;1-(furan-2-yl)-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanimine
CID 123982233
5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141178228

Frequently Asked Questions

What is the IUPAC name of benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate?
The IUPAC name of benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate (CID 161031044) is benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate.
What is the SMILES notation for benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate?
The canonical SMILES for benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate is C.C.CN1CCC(c2c[nH]c3ccc(CCc4ccccc4)cc23)C1.CN1CCC(c2c[nH]c3ccc(N)cc23)C1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1ccco1.[H]/N=C(/Cc1ccc2[nH]cc(C3CCN(C)C3)c2c1)c1cccs1.[H]/N=C(\SC)c1cccs1.[H]/N=C(\SCc1ccccc1)c1ccco1.
What is the InChIKey of benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate?
The InChIKey is TZPSQDOCWTVQOG-YZKIRIPGSA-N. The full InChI is InChI=1S/C21H24N2.C19H21N3O.C19H21N3S.C13H17N3.C12H11NOS.C6H7NS2.2CH4/c1-23-12-11-18(15-23)20-14-22-21-10-9-17(13-19(20)21)8-7-16-5-3-2-4-6-16;2*1-22-7-6-14(12-22)16-11-21-18-5-4-13(9-15(16)18)10-17(20)19-3-2-8-23-19;1-16-5-4-9(8-16)12-7-15-13-3-2-10(14)6-11(12)13;13-12(11-7-4-8-14-11)15-9-10-5-2-1-3-6-10;1-8-6(7)5-3-2-4-9-5;;/h2-6,9-10,13-14,18,22H,7-8,11-12,15H2,1H3;2*2-5,8-9,11,14,20-21H,6-7,10,12H2,1H3;2-3,6-7,9,15H,4-5,8,14H2,1H3;1-8,13H,9H2;2-4,7H,1H3;2*1H4/b;2*20-17-;;13-12-;7-6-;;.
What are the key properties of benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate?
benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate has a molecular weight of 1557.24 g/mol, XLogP of 21.84, 17 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl furan-2-carboximidothioate;1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;methane;3-(1-methylpyrrolidin-3-yl)-1H-indol-5-amine;2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine;3-(1-methylpyrrolidin-3-yl)-5-(2-phenylethyl)-1H-indole;methyl thiophene-2-carboximidothioate is sourced from PubChem (CID 161031044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).