1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

C114H113N37O10S6 — CID 157334100

IUPAC1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.COc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.NCCCn1cc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2)nn1.NCCCn1cnc2cc(C(=O)Nc3nc(-c4cccnc4)cs3)ccc21.NCCCn1cnc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)ccc21
InChIInChI=1S/C21H22N6OS.C19H20N6O2S.2C19H18N6OS.C18H17N7O2S.C18H18N6O3S/c1-2-19-24-16-12-14(7-8-18(16)27(19)11-5-9-22)20(28)26-21-25-17(13-29-21)15-6-3-4-10-23-15;1-2-16-21-13-11-12(6-7-14(13)25(16)9-4-8-20)17(26)22-19-24-23-18(28-19)15-5-3-10-27-15;20-6-1-9-25-12-22-15-10-14(2-3-17(15)25)18(26)24-19-23-16(11-27-19)13-4-7-21-8-5-13;20-6-2-8-25-12-22-15-9-13(4-5-17(15)25)18(26)24-19-23-16(11-27-19)14-3-1-7-21-10-14;19-8-2-9-25-11-14(21-24-25)12-4-6-13(7-5-12)16(26)20-18-23-22-17(28-18)15-3-1-10-27-15;1-26-18-20-12-10-11(5-6-13(12)24(18)8-3-7-19)15(25)21-17-23-22-16(28-17)14-4-2-9-27-14/h3-4,6-8,10,12-13H,2,5,9,11,22H2,1H3,(H,25,26,28);3,5-7,10-11H,2,4,8-9,20H2,1H3,(H,22,24,26);2-5,7-8,10-12H,1,6,9,20H2,(H,23,24,26);1,3-5,7,9-12H,2,6,8,20H2,(H,23,24,26);1,3-7,10-11H,2,8-9,19H2,(H,20,23,26);2,4-6,9-10H,3,7-8,19H2,1H3,(H,21,23,25)
InChIKeyBFQARJHNENREFK-UHFFFAOYSA-N
MW2353.81 g/mol
LogP18.76
Rot. Bonds40

About 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 157334100) has the molecular formula C114H113N37O10S6 and a molecular weight of 2353.81 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID157334100
Molecular FormulaC114H113N37O10S6
Molecular Weight2353.81 g/mol
Exact Mass2351.78
IUPAC Name1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.COc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.NCCCn1cc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2)nn1.NCCCn1cnc2cc(C(=O)Nc3nc(-c4cccnc4)cs3)ccc21.NCCCn1cnc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)ccc21
InChIInChI=1S/C21H22N6OS.C19H20N6O2S.2C19H18N6OS.C18H17N7O2S.C18H18N6O3S/c1-2-19-24-16-12-14(7-8-18(16)27(19)11-5-9-22)20(28)26-21-25-17(13-29-21)15-6-3-4-10-23-15;1-2-16-21-13-11-12(6-7-14(13)25(16)9-4-8-20)17(26)22-19-24-23-18(28-19)15-5-3-10-27-15;20-6-1-9-25-12-22-15-10-14(2-3-17(15)25)18(26)24-19-23-16(11-27-19)13-4-7-21-8-5-13;20-6-2-8-25-12-22-15-9-13(4-5-17(15)25)18(26)24-19-23-16(11-27-19)14-3-1-7-21-10-14;19-8-2-9-25-11-14(21-24-25)12-4-6-13(7-5-12)16(26)20-18-23-22-17(28-18)15-3-1-10-27-15;1-26-18-20-12-10-11(5-6-13(12)24(18)8-3-7-19)15(25)21-17-23-22-16(28-17)14-4-2-9-27-14/h3-4,6-8,10,12-13H,2,5,9,11,22H2,1H3,(H,25,26,28);3,5-7,10-11H,2,4,8-9,20H2,1H3,(H,22,24,26);2-5,7-8,10-12H,1,6,9,20H2,(H,23,24,26);1,3-5,7,9-12H,2,6,8,20H2,(H,23,24,26);1,3-7,10-11H,2,8-9,19H2,(H,20,23,26);2,4-6,9-10H,3,7-8,19H2,1H3,(H,21,23,25)
InChIKeyBFQARJHNENREFK-UHFFFAOYSA-N
XLogP18.76
TPSA653.86 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds40
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002353.81
LogP ≤ 518.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide with MolForge

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Related Compounds

5-[3-[(2,3-dimethylimidazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[5-(trifluoromethyl)furan-2-yl]methylamino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159431947
(2S)-2-amino-N,N'-bis[2-[2-[2-[5-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzimidazol-1-yl]ethoxy]ethoxy]ethyl]pentanediamide
CID 89746924
(2S)-2-amino-N,N'-bis[2-[2-[2-[5-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methylbenzimidazol-1-yl]ethoxy]ethoxy]ethyl]pentanediamide
CID 90070180
2-amino-N,N'-bis[2-[2-[2-[5-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methylbenzimidazol-1-yl]ethoxy]ethoxy]ethyl]pentanediamide
CID 123683032
(2S)-2-amino-N-[2-[2-[2-[5-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzimidazol-1-yl]ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[5-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methylbenzimidazol-1-yl]ethoxy]ethoxy]ethyl]pentanediamide
CID 156387439
N-(2-aminophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(dimethylamino)methyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;methane;4-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 157097282
4-[2-(4-aminobutyl)-1,3-thiazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide;1-(3-aminopropyl)-2-ethyl-N-[6-(furan-2-yl)pyridazin-3-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-methyl-N-[5-(1,3-oxazol-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide
CID 157112392
(5S)-7-[2-[4-[4-[5-(ethylamino)-1,3-oxazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-[5-(ethylamino)-1,3-thiazol-2-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 157139649
5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole;3-methyl-1-(4-methylphenyl)pyrazole;5-methyl-1-(4-methylphenyl)tetrazole;2-methyl-4-(4-methylphenyl)-1,3-thiazole;N-(4-methylphenyl)acetamide;2-(3-methylphenyl)-1H-benzimidazole;2-(4-methylphenyl)furan;3-(4-methylphenyl)furan;1-(4-methylphenyl)imidazole;4-(4-methylphenyl)morpholine;5-(4-methylphenyl)-1,3-oxazole;1-(4-methylphenyl)pyrazole;4-(4-methylphenyl)thiadiazole;2-(4-methylphenyl)thiophene;N,N,3-trimethylaniline
CID 157469253
cumene;7-propan-2-yl-2,3-dihydroisoindol-1-one;2-propan-2-ylfuran;bis(2-propan-2-yl-1H-imidazole);5-propan-2-yl-1H-imidazole;6-propan-2-ylindolizine;5-propan-2-yl-2H-isoindole;4-propan-2-yl-1,5-naphthyridine;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;6-propan-2-ylquinoxaline;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 157537436
1,5-dimethylbenzotriazole;1,6-dimethylbenzotriazole;2,5-dimethylfuro[2,3-b]pyridine;2,6-dimethylfuro[2,3-b]pyridine;3,5-dimethylfuro[2,3-b]pyridine;3,6-dimethylfuro[2,3-b]pyridine;1,5-dimethylindazole;1,6-dimethylindazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;1,5-dimethylpyrrolo[2,3-b]pyridine;1,6-dimethylpyrrolo[2,3-b]pyridine;2,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;3,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;2,5-dimethylthieno[2,3-b]pyridine;2,6-dimethylthieno[2,3-b]pyridine;3,5-dimethylthieno[2,3-b]pyridine;3,6-dimethylthieno[2,3-b]pyridine;methane
CID 157597548
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-oxo-3H-benzimidazole-5-carboxamide;1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazole-5-carboxamide;1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-(1,3,4-thiadiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-oxo-3H-benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzimidazole-5-carboxamide
CID 157613268

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide (CID 157334100) is 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is CCc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1CCCN.CCc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.COc1nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc2n1CCCN.NCCCn1cc(-c2ccc(C(=O)Nc3nnc(-c4ccco4)s3)cc2)nn1.NCCCn1cnc2cc(C(=O)Nc3nc(-c4cccnc4)cs3)ccc21.NCCCn1cnc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)ccc21.
What is the InChIKey of 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is BFQARJHNENREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS.C19H20N6O2S.2C19H18N6OS.C18H17N7O2S.C18H18N6O3S/c1-2-19-24-16-12-14(7-8-18(16)27(19)11-5-9-22)20(28)26-21-25-17(13-29-21)15-6-3-4-10-23-15;1-2-16-21-13-11-12(6-7-14(13)25(16)9-4-8-20)17(26)22-19-24-23-18(28-19)15-5-3-10-27-15;20-6-1-9-25-12-22-15-10-14(2-3-17(15)25)18(26)24-19-23-16(11-27-19)13-4-7-21-8-5-13;20-6-2-8-25-12-22-15-9-13(4-5-17(15)25)18(26)24-19-23-16(11-27-19)14-3-1-7-21-10-14;19-8-2-9-25-11-14(21-24-25)12-4-6-13(7-5-12)16(26)20-18-23-22-17(28-18)15-3-1-10-27-15;1-26-18-20-12-10-11(5-6-13(12)24(18)8-3-7-19)15(25)21-17-23-22-16(28-17)14-4-2-9-27-14/h3-4,6-8,10,12-13H,2,5,9,11,22H2,1H3,(H,25,26,28);3,5-7,10-11H,2,4,8-9,20H2,1H3,(H,22,24,26);2-5,7-8,10-12H,1,6,9,20H2,(H,23,24,26);1,3-5,7,9-12H,2,6,8,20H2,(H,23,24,26);1,3-7,10-11H,2,8-9,19H2,(H,20,23,26);2,4-6,9-10H,3,7-8,19H2,1H3,(H,21,23,25).
What are the key properties of 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide?
1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 2353.81 g/mol, XLogP of 18.76, 40 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-ethyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzimidazole-5-carboxamide;1-(3-aminopropyl)-2-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide;4-[1-(3-aminopropyl)triazol-4-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 157334100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).