2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C171H191FN50O16S14 — CID 158654618

IUPAC2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(OC)cn5)s4)C3)s2)nc1.Cc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(F)cn5)s4)C3)s2)nc1.O=C(Cc1cccc(N2CCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCNCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCNCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCOCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCOCC5)c4)s3)C2)s1.O=C(Cc1cscn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cscn4)s3)C2)s1
InChIInChI=1S/C34H42N10O2S2.C34H40N8O4S2.C32H36N8O2S2.C26H28N8O4S2.C25H25FN8O2S2.C20H20N8O2S4/c45-29(20-23-4-1-8-27(18-23)43-14-10-35-11-15-43)37-33-41-39-31(47-33)25-6-3-7-26(22-25)32-40-42-34(48-32)38-30(46)21-24-5-2-9-28(19-24)44-16-12-36-13-17-44;43-29(20-23-4-1-8-27(18-23)41-10-14-45-15-11-41)35-33-39-37-31(47-33)25-6-3-7-26(22-25)32-38-40-34(48-32)36-30(44)21-24-5-2-9-28(19-24)42-12-16-46-17-13-42;41-27(18-21-6-1-10-25(16-21)39-12-4-13-39)33-31-37-35-29(43-31)23-8-3-9-24(20-23)30-36-38-32(44-30)34-28(42)19-22-7-2-11-26(17-22)40-14-5-15-40;1-37-19-8-6-17(27-13-19)11-21(35)29-25-33-31-23(39-25)15-4-3-5-16(10-15)24-32-34-26(40-24)30-22(36)12-18-7-9-20(38-2)14-28-18;1-14-5-7-18(27-12-14)10-20(35)29-24-33-31-22(37-24)15-3-2-4-16(9-15)23-32-34-25(38-23)30-21(36)11-19-8-6-17(26)13-28-19;29-15(5-13-7-31-9-21-13)23-19-27-25-17(33-19)11-2-1-3-12(4-11)18-26-28-20(34-18)24-16(30)6-14-8-32-10-22-14/h1-2,4-5,8-9,18-19,25-26,35-36H,3,6-7,10-17,20-22H2,(H,37,41,45)(H,38,42,46);1-2,4-5,8-9,18-19,25-26H,3,6-7,10-17,20-22H2,(H,35,39,43)(H,36,40,44);1-2,6-7,10-11,16-17,23-24H,3-5,8-9,12-15,18-20H2,(H,33,37,41)(H,34,38,42);6-9,13-16H,3-5,10-12H2,1-2H3,(H,29,33,35)(H,30,34,36);5-8,12-13,15-16H,2-4,9-11H2,1H3,(H,29,33,35)(H,30,34,36);7-12H,1-6H2,(H,23,27,29)(H,24,28,30)/t2*25-,26-;23-,24-;2*15-,16-;11-,12-/m000000/s1
InChIKeyIBZCCLKNLHXPGZ-SBOUTVQQSA-N
MW3670.68 g/mol
LogP27.03
Rot. Bonds56

About 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 158654618) has the molecular formula C171H191FN50O16S14 and a molecular weight of 3670.68 g/mol. Its IUPAC name is 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID158654618
Molecular FormulaC171H191FN50O16S14
Molecular Weight3670.68 g/mol
Exact Mass3667.17
IUPAC Name2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(OC)cn5)s4)C3)s2)nc1.Cc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(F)cn5)s4)C3)s2)nc1.O=C(Cc1cccc(N2CCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCNCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCNCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCOCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCOCC5)c4)s3)C2)s1.O=C(Cc1cscn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cscn4)s3)C2)s1
InChIInChI=1S/C34H42N10O2S2.C34H40N8O4S2.C32H36N8O2S2.C26H28N8O4S2.C25H25FN8O2S2.C20H20N8O2S4/c45-29(20-23-4-1-8-27(18-23)43-14-10-35-11-15-43)37-33-41-39-31(47-33)25-6-3-7-26(22-25)32-40-42-34(48-32)38-30(46)21-24-5-2-9-28(19-24)44-16-12-36-13-17-44;43-29(20-23-4-1-8-27(18-23)41-10-14-45-15-11-41)35-33-39-37-31(47-33)25-6-3-7-26(22-25)32-38-40-34(48-32)36-30(44)21-24-5-2-9-28(19-24)42-12-16-46-17-13-42;41-27(18-21-6-1-10-25(16-21)39-12-4-13-39)33-31-37-35-29(43-31)23-8-3-9-24(20-23)30-36-38-32(44-30)34-28(42)19-22-7-2-11-26(17-22)40-14-5-15-40;1-37-19-8-6-17(27-13-19)11-21(35)29-25-33-31-23(39-25)15-4-3-5-16(10-15)24-32-34-26(40-24)30-22(36)12-18-7-9-20(38-2)14-28-18;1-14-5-7-18(27-12-14)10-20(35)29-24-33-31-22(37-24)15-3-2-4-16(9-15)23-32-34-25(38-23)30-21(36)11-19-8-6-17(26)13-28-19;29-15(5-13-7-31-9-21-13)23-19-27-25-17(33-19)11-2-1-3-12(4-11)18-26-28-20(34-18)24-16(30)6-14-8-32-10-22-14/h1-2,4-5,8-9,18-19,25-26,35-36H,3,6-7,10-17,20-22H2,(H,37,41,45)(H,38,42,46);1-2,4-5,8-9,18-19,25-26H,3,6-7,10-17,20-22H2,(H,35,39,43)(H,36,40,44);1-2,6-7,10-11,16-17,23-24H,3-5,8-9,12-15,18-20H2,(H,33,37,41)(H,34,38,42);6-9,13-16H,3-5,10-12H2,1-2H3,(H,29,33,35)(H,30,34,36);5-8,12-13,15-16H,2-4,9-11H2,1H3,(H,29,33,35)(H,30,34,36);7-12H,1-6H2,(H,23,27,29)(H,24,28,30)/t2*25-,26-;23-,24-;2*15-,16-;11-,12-/m000000/s1
InChIKeyIBZCCLKNLHXPGZ-SBOUTVQQSA-N
XLogP27.03
TPSA816.32 Ų
H-Bond Donors14
H-Bond Acceptors68
Rotatable Bonds56
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003670.68
LogP ≤ 527.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1068

Analyze 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[3-(3-fluoroazetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(3-fluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90186071
2-[3-(3,3-difluoroazetidin-1-yl)phenyl]-N-[5-[3-[5-[[2-[3-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123530927
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86719123
2-(5-hydroxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-[5-(2-methoxyethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135234046
2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123694856
N-[5-[[3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]-2-(3-cyanophenyl)acetamide
CID 123216161
2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129136086
2-(2-fluoro-5-methoxyphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(2-fluoro-5-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163388
2-(3-piperidin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperidin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163405
2-(3-pyrrolidin-1-ylphenyl)-N-[[2-[(1S)-3-[5-[[2-(3-pyrrolidin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1λ4-thia-2,3,4-triazacyclobut-4-en-1-yl]methyl]acetamide
CID 135234105
2-(3-aminophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444061
2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123252332

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 158654618) is 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(OC)cn5)s4)C3)s2)nc1.Cc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(F)cn5)s4)C3)s2)nc1.O=C(Cc1cccc(N2CCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCNCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCNCC5)c4)s3)C2)s1.O=C(Cc1cccc(N2CCOCC2)c1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCOCC5)c4)s3)C2)s1.O=C(Cc1cscn1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cscn4)s3)C2)s1.
What is the InChIKey of 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IBZCCLKNLHXPGZ-SBOUTVQQSA-N. The full InChI is InChI=1S/C34H42N10O2S2.C34H40N8O4S2.C32H36N8O2S2.C26H28N8O4S2.C25H25FN8O2S2.C20H20N8O2S4/c45-29(20-23-4-1-8-27(18-23)43-14-10-35-11-15-43)37-33-41-39-31(47-33)25-6-3-7-26(22-25)32-40-42-34(48-32)38-30(46)21-24-5-2-9-28(19-24)44-16-12-36-13-17-44;43-29(20-23-4-1-8-27(18-23)41-10-14-45-15-11-41)35-33-39-37-31(47-33)25-6-3-7-26(22-25)32-38-40-34(48-32)36-30(44)21-24-5-2-9-28(19-24)42-12-16-46-17-13-42;41-27(18-21-6-1-10-25(16-21)39-12-4-13-39)33-31-37-35-29(43-31)23-8-3-9-24(20-23)30-36-38-32(44-30)34-28(42)19-22-7-2-11-26(17-22)40-14-5-15-40;1-37-19-8-6-17(27-13-19)11-21(35)29-25-33-31-23(39-25)15-4-3-5-16(10-15)24-32-34-26(40-24)30-22(36)12-18-7-9-20(38-2)14-28-18;1-14-5-7-18(27-12-14)10-20(35)29-24-33-31-22(37-24)15-3-2-4-16(9-15)23-32-34-25(38-23)30-21(36)11-19-8-6-17(26)13-28-19;29-15(5-13-7-31-9-21-13)23-19-27-25-17(33-19)11-2-1-3-12(4-11)18-26-28-20(34-18)24-16(30)6-14-8-32-10-22-14/h1-2,4-5,8-9,18-19,25-26,35-36H,3,6-7,10-17,20-22H2,(H,37,41,45)(H,38,42,46);1-2,4-5,8-9,18-19,25-26H,3,6-7,10-17,20-22H2,(H,35,39,43)(H,36,40,44);1-2,6-7,10-11,16-17,23-24H,3-5,8-9,12-15,18-20H2,(H,33,37,41)(H,34,38,42);6-9,13-16H,3-5,10-12H2,1-2H3,(H,29,33,35)(H,30,34,36);5-8,12-13,15-16H,2-4,9-11H2,1H3,(H,29,33,35)(H,30,34,36);7-12H,1-6H2,(H,23,27,29)(H,24,28,30)/t2*25-,26-;23-,24-;2*15-,16-;11-,12-/m000000/s1.
What are the key properties of 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 3670.68 g/mol, XLogP of 27.03, 56 rotatable bonds, 14 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(azetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-(5-fluoro-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-pyridinyl)acetamide;2-(5-methoxy-2-pyridinyl)-N-[5-[(1S,3S)-3-[5-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(3-piperazin-1-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-piperazin-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(1,3-thiazol-4-yl)-N-[5-[(1S,3S)-3-[5-[[2-(1,3-thiazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 158654618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).