N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide

C144H191F6N49O20S4 — CID 161149463

IUPACN-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(CCc2cnc[nH]2)c(=O)n(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c2noc(C(F)(F)F)n2)c1.Cc1ncc(CCCC2CCNCC2)c(=O)n1CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCc2cnc[nH]2)c1=O)C(=O)c1noc(C(F)(F)F)n1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nccs1
InChIInChI=1S/C27H36N8O3S.C27H35N7O3S.C24H36N8O3S.C23H34N8O3S.C22H26F3N9O4.C21H24F3N9O4/c28-27(29)32-12-4-8-20(24(37)25-34-19-6-1-2-9-22(19)39-25)33-23(36)17-35-16-15-31-21(26(35)38)7-3-5-18-10-13-30-14-11-18;28-27(29)31-13-3-7-21(24(36)25-33-20-6-1-2-8-22(20)38-25)32-23(35)17-34-16-4-5-19(26(34)37)10-9-18-11-14-30-15-12-18;1-16-30-14-18(5-2-4-17-7-10-27-11-8-17)23(35)32(16)15-20(33)31-19(6-3-9-29-24(25)26)21(34)22-28-12-13-36-22;24-23(25)29-8-2-5-17(20(33)21-28-12-14-35-21)30-19(32)15-31-13-11-27-18(22(31)34)4-1-3-16-6-9-26-10-7-16;1-12-7-13(4-5-14-8-28-11-30-14)19(37)34(9-12)10-16(35)31-15(3-2-6-29-21(26)27)17(36)18-32-20(38-33-18)22(23,24)25;22-21(23,24)19-31-17(32-37-19)16(35)14(4-1-7-28-20(25)26)30-15(34)10-33-8-2-3-12(18(33)36)5-6-13-9-27-11-29-13/h1-2,6,9,15-16,18,20,30H,3-5,7-8,10-14,17H2,(H,33,36)(H4,28,29,32);1-2,4-6,8,16,18,21,30H,3,7,9-15,17H2,(H,32,35)(H4,28,29,31);12-14,17,19,27H,2-11,15H2,1H3,(H,31,33)(H4,25,26,29);11-14,16-17,26H,1-10,15H2,(H,30,32)(H4,24,25,29);7-9,11,15H,2-6,10H2,1H3,(H,28,30)(H,31,35)(H4,26,27,29);2-3,8-9,11,14H,1,4-7,10H2,(H,27,29)(H,30,34)(H4,25,26,28)/t20-;21-;19-;17-;15-;14-/m000000/s1
InChIKeyUOMDQJYZBQOQSO-USMNBWAPSA-N
MW3170.69 g/mol
LogP5.27
Rot. Bonds75

About N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide

N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 161149463) has the molecular formula C144H191F6N49O20S4 and a molecular weight of 3170.69 g/mol. Its IUPAC name is N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide
PubChem CID161149463
Molecular FormulaC144H191F6N49O20S4
Molecular Weight3170.69 g/mol
Exact Mass3168.42
IUPAC NameN-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1cc(CCc2cnc[nH]2)c(=O)n(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c2noc(C(F)(F)F)n2)c1.Cc1ncc(CCCC2CCNCC2)c(=O)n1CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCc2cnc[nH]2)c1=O)C(=O)c1noc(C(F)(F)F)n1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nccs1
InChIInChI=1S/C27H36N8O3S.C27H35N7O3S.C24H36N8O3S.C23H34N8O3S.C22H26F3N9O4.C21H24F3N9O4/c28-27(29)32-12-4-8-20(24(37)25-34-19-6-1-2-9-22(19)39-25)33-23(36)17-35-16-15-31-21(26(35)38)7-3-5-18-10-13-30-14-11-18;28-27(29)31-13-3-7-21(24(36)25-33-20-6-1-2-8-22(20)38-25)32-23(35)17-34-16-4-5-19(26(34)37)10-9-18-11-14-30-15-12-18;1-16-30-14-18(5-2-4-17-7-10-27-11-8-17)23(35)32(16)15-20(33)31-19(6-3-9-29-24(25)26)21(34)22-28-12-13-36-22;24-23(25)29-8-2-5-17(20(33)21-28-12-14-35-21)30-19(32)15-31-13-11-27-18(22(31)34)4-1-3-16-6-9-26-10-7-16;1-12-7-13(4-5-14-8-28-11-30-14)19(37)34(9-12)10-16(35)31-15(3-2-6-29-21(26)27)17(36)18-32-20(38-33-18)22(23,24)25;22-21(23,24)19-31-17(32-37-19)16(35)14(4-1-7-28-20(25)26)30-15(34)10-33-8-2-3-12(18(33)36)5-6-13-9-27-11-29-13/h1-2,6,9,15-16,18,20,30H,3-5,7-8,10-14,17H2,(H,33,36)(H4,28,29,32);1-2,4-6,8,16,18,21,30H,3,7,9-15,17H2,(H,32,35)(H4,28,29,31);12-14,17,19,27H,2-11,15H2,1H3,(H,31,33)(H4,25,26,29);11-14,16-17,26H,1-10,15H2,(H,30,32)(H4,24,25,29);7-9,11,15H,2-6,10H2,1H3,(H,28,30)(H,31,35)(H4,26,27,29);2-3,8-9,11,14H,1,4-7,10H2,(H,27,29)(H,30,34)(H4,25,26,28)/t20-;21-;19-;17-;15-;14-/m000000/s1
InChIKeyUOMDQJYZBQOQSO-USMNBWAPSA-N
XLogP5.27
TPSA1068.97 Ų
H-Bond Donors24
H-Bond Acceptors53
Rotatable Bonds75
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003170.69
LogP ≤ 55.27
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
CID 160568688
CID 160568688
(2S)-N-[6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-[5-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-2-pyridinyl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide;(2S)-N-[2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[2-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;N-[2-[6-(1,1-difluoroethyl)-5-methyl-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dioxopurin-7-yl]acetamide
CID 161069719
2-(3H-benzimidazol-5-yl)-N-[(3S)-1-[2-[[(2S)-5-(diaminomethylideneamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]acetamide;N-[(3S)-1-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]-2-oxopyrrolidin-3-yl]-3-(1,1-dimethylpiperidin-1-ium-4-yl)propanamide
CID 90745468
N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;bis(N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide);N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 157140047
3-[(5-fluoro-1H-indol-3-yl)methyl]-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)heptan-1-one
CID 160422062
3-[(5-fluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;N-[1-(1H-indol-3-yl)hexan-2-yl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)heptan-1-one
CID 162079645
ethyl N-[2-(1H-imidazo[4,5-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[5-phenyl-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate;propan-2-yl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 162281811

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide (CID 161149463) is N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide is Cc1cc(CCc2cnc[nH]2)c(=O)n(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c2noc(C(F)(F)F)n2)c1.Cc1ncc(CCCC2CCNCC2)c(=O)n1CC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1cccc(CCc2cnc[nH]2)c1=O)C(=O)c1noc(C(F)(F)F)n1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nc2ccccc2s1.NC(N)=NCCC[C@H](NC(=O)Cn1ccnc(CCCC2CCNCC2)c1=O)C(=O)c1nccs1.
What is the InChIKey of N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is UOMDQJYZBQOQSO-USMNBWAPSA-N. The full InChI is InChI=1S/C27H36N8O3S.C27H35N7O3S.C24H36N8O3S.C23H34N8O3S.C22H26F3N9O4.C21H24F3N9O4/c28-27(29)32-12-4-8-20(24(37)25-34-19-6-1-2-9-22(19)39-25)33-23(36)17-35-16-15-31-21(26(35)38)7-3-5-18-10-13-30-14-11-18;28-27(29)31-13-3-7-21(24(36)25-33-20-6-1-2-8-22(20)38-25)32-23(35)17-34-16-4-5-19(26(34)37)10-9-18-11-14-30-15-12-18;1-16-30-14-18(5-2-4-17-7-10-27-11-8-17)23(35)32(16)15-20(33)31-19(6-3-9-29-24(25)26)21(34)22-28-12-13-36-22;24-23(25)29-8-2-5-17(20(33)21-28-12-14-35-21)30-19(32)15-31-13-11-27-18(22(31)34)4-1-3-16-6-9-26-10-7-16;1-12-7-13(4-5-14-8-28-11-30-14)19(37)34(9-12)10-16(35)31-15(3-2-6-29-21(26)27)17(36)18-32-20(38-33-18)22(23,24)25;22-21(23,24)19-31-17(32-37-19)16(35)14(4-1-7-28-20(25)26)30-15(34)10-33-8-2-3-12(18(33)36)5-6-13-9-27-11-29-13/h1-2,6,9,15-16,18,20,30H,3-5,7-8,10-14,17H2,(H,33,36)(H4,28,29,32);1-2,4-6,8,16,18,21,30H,3,7,9-15,17H2,(H,32,35)(H4,28,29,31);12-14,17,19,27H,2-11,15H2,1H3,(H,31,33)(H4,25,26,29);11-14,16-17,26H,1-10,15H2,(H,30,32)(H4,24,25,29);7-9,11,15H,2-6,10H2,1H3,(H,28,30)(H,31,35)(H4,26,27,29);2-3,8-9,11,14H,1,4-7,10H2,(H,27,29)(H,30,34)(H4,25,26,28)/t20-;21-;19-;17-;15-;14-/m000000/s1.
What are the key properties of N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide?
N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 3170.69 g/mol, XLogP of 5.27, 75 rotatable bonds, 24 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(2-piperidin-4-ylethyl)-1-pyridinyl]acetamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-methyl-6-oxo-5-(3-piperidin-4-ylpropyl)pyrimidin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxo-3-(3-piperidin-4-ylpropyl)pyrazin-1-yl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-2-oxo-1-pyridinyl]acetamide;N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentan-2-yl]-2-[3-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 161149463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).