2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

C193H215F9N54O16S12 — CID 157163447

IUPAC2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cc6)s5)C4)s3)cc2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)c6)s5)C4)s3)c2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)n6)s5)C4)s3)n2)C1.COC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(OC)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1ccc(N2CCOCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CCOCC5)cc4)s3)C2)s1.O=C(Cc1cccc(N2CCC2)n1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)n4)s3)C2)s1
InChIInChI=1S/C34H40N8O4S2.2C33H35F3N8O2S2.C32H38N10O4S2.C31H33F3N10O2S2.C30H34N10O2S2/c43-29(20-23-4-8-27(9-5-23)41-12-16-45-17-13-41)35-33-39-37-31(47-33)25-2-1-3-26(22-25)32-38-40-34(48-32)36-30(44)21-24-6-10-28(11-7-24)42-14-18-46-19-15-42;1-32(34)16-43(17-32)24-9-2-5-20(11-24)13-26(45)37-30-41-39-28(47-30)22-7-4-8-23(15-22)29-40-42-31(48-29)38-27(46)14-21-6-3-10-25(12-21)44-18-33(35,36)19-44;1-32(34)16-43(17-32)24-9-5-20(6-10-24)13-26(45)37-30-41-39-28(47-30)22-3-2-4-23(15-22)29-40-42-31(48-29)38-27(46)14-21-7-11-25(12-8-21)44-18-33(35,36)19-44;1-45-23-15-41(16-23)25-10-4-8-21(33-25)13-27(43)35-31-39-37-29(47-31)19-6-3-7-20(12-19)30-38-40-32(48-30)36-28(44)14-22-9-5-11-26(34-22)42-17-24(18-42)46-2;1-30(32)14-43(15-30)22-9-3-7-20(35-22)12-24(45)37-28-41-39-26(47-28)18-5-2-6-19(11-18)27-40-42-29(48-27)38-25(46)13-21-8-4-10-23(36-21)44-16-31(33,34)17-44;41-25(17-21-8-2-10-23(31-21)39-12-4-13-39)33-29-37-35-27(43-29)19-6-1-7-20(16-19)28-36-38-30(44-28)34-26(42)18-22-9-3-11-24(32-22)40-14-5-15-40/h4-11,25-26H,1-3,12-22H2,(H,35,39,43)(H,36,40,44);2-3,5-6,9-12,22-23H,4,7-8,13-19H2,1H3,(H,37,41,45)(H,38,42,46);5-12,22-23H,2-4,13-19H2,1H3,(H,37,41,45)(H,38,42,46);4-5,8-11,19-20,23-24H,3,6-7,12-18H2,1-2H3,(H,35,39,43)(H,36,40,44);3-4,7-10,18-19H,2,5-6,11-17H2,1H3,(H,37,41,45)(H,38,42,46);2-3,8-11,19-20H,1,4-7,12-18H2,(H,33,37,41)(H,34,38,42)/t25-,26-;2*22-,23-;19-,20-;18-,19-;19-,20-/m000000/s1
InChIKeyAMQGXUOJQXOFEV-HPWVXUNGSA-N
MW4102.99 g/mol
LogP30.30
Rot. Bonds62

About 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide

2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 157163447) has the molecular formula C193H215F9N54O16S12 and a molecular weight of 4102.99 g/mol. Its IUPAC name is 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID157163447
Molecular FormulaC193H215F9N54O16S12
Molecular Weight4102.99 g/mol
Exact Mass4099.42
IUPAC Name2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cc6)s5)C4)s3)cc2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)c6)s5)C4)s3)c2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)n6)s5)C4)s3)n2)C1.COC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(OC)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1ccc(N2CCOCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CCOCC5)cc4)s3)C2)s1.O=C(Cc1cccc(N2CCC2)n1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)n4)s3)C2)s1
InChIInChI=1S/C34H40N8O4S2.2C33H35F3N8O2S2.C32H38N10O4S2.C31H33F3N10O2S2.C30H34N10O2S2/c43-29(20-23-4-8-27(9-5-23)41-12-16-45-17-13-41)35-33-39-37-31(47-33)25-2-1-3-26(22-25)32-38-40-34(48-32)36-30(44)21-24-6-10-28(11-7-24)42-14-18-46-19-15-42;1-32(34)16-43(17-32)24-9-2-5-20(11-24)13-26(45)37-30-41-39-28(47-30)22-7-4-8-23(15-22)29-40-42-31(48-29)38-27(46)14-21-6-3-10-25(12-21)44-18-33(35,36)19-44;1-32(34)16-43(17-32)24-9-5-20(6-10-24)13-26(45)37-30-41-39-28(47-30)22-3-2-4-23(15-22)29-40-42-31(48-29)38-27(46)14-21-7-11-25(12-8-21)44-18-33(35,36)19-44;1-45-23-15-41(16-23)25-10-4-8-21(33-25)13-27(43)35-31-39-37-29(47-31)19-6-3-7-20(12-19)30-38-40-32(48-30)36-28(44)14-22-9-5-11-26(34-22)42-17-24(18-42)46-2;1-30(32)14-43(15-30)22-9-3-7-20(35-22)12-24(45)37-28-41-39-26(47-28)18-5-2-6-19(11-18)27-40-42-29(48-27)38-25(46)13-21-8-4-10-23(36-21)44-16-31(33,34)17-44;41-25(17-21-8-2-10-23(31-21)39-12-4-13-39)33-29-37-35-27(43-29)19-6-1-7-20(16-19)28-36-38-30(44-28)34-26(42)18-22-9-3-11-24(32-22)40-14-5-15-40/h4-11,25-26H,1-3,12-22H2,(H,35,39,43)(H,36,40,44);2-3,5-6,9-12,22-23H,4,7-8,13-19H2,1H3,(H,37,41,45)(H,38,42,46);5-12,22-23H,2-4,13-19H2,1H3,(H,37,41,45)(H,38,42,46);4-5,8-11,19-20,23-24H,3,6-7,12-18H2,1-2H3,(H,35,39,43)(H,36,40,44);3-4,7-10,18-19H,2,5-6,11-17H2,1H3,(H,37,41,45)(H,38,42,46);2-3,8-11,19-20H,1,4-7,12-18H2,(H,33,37,41)(H,34,38,42)/t25-,26-;2*22-,23-;19-,20-;18-,19-;19-,20-/m000000/s1
InChIKeyAMQGXUOJQXOFEV-HPWVXUNGSA-N
XLogP30.30
TPSA811.70 Ų
H-Bond Donors12
H-Bond Acceptors70
Rotatable Bonds62
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004102.99
LogP ≤ 530.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1070

Analyze 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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What is the IUPAC name of 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 157163447) is 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is CC1(F)CN(c2ccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6ccc(N7CC(F)(F)C7)cc6)s5)C4)s3)cc2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)c6)s5)C4)s3)c2)C1.CC1(F)CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(F)(F)C7)n6)s5)C4)s3)n2)C1.COC1CN(c2cccc(CC(=O)Nc3nnc([C@H]4CCC[C@H](c5nnc(NC(=O)Cc6cccc(N7CC(OC)C7)n6)s5)C4)s3)n2)C1.O=C(Cc1ccc(N2CCOCC2)cc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccc(N5CCOCC5)cc4)s3)C2)s1.O=C(Cc1cccc(N2CCC2)n1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CCC5)n4)s3)C2)s1.
What is the InChIKey of 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AMQGXUOJQXOFEV-HPWVXUNGSA-N. The full InChI is InChI=1S/C34H40N8O4S2.2C33H35F3N8O2S2.C32H38N10O4S2.C31H33F3N10O2S2.C30H34N10O2S2/c43-29(20-23-4-8-27(9-5-23)41-12-16-45-17-13-41)35-33-39-37-31(47-33)25-2-1-3-26(22-25)32-38-40-34(48-32)36-30(44)21-24-6-10-28(11-7-24)42-14-18-46-19-15-42;1-32(34)16-43(17-32)24-9-2-5-20(11-24)13-26(45)37-30-41-39-28(47-30)22-7-4-8-23(15-22)29-40-42-31(48-29)38-27(46)14-21-6-3-10-25(12-21)44-18-33(35,36)19-44;1-32(34)16-43(17-32)24-9-5-20(6-10-24)13-26(45)37-30-41-39-28(47-30)22-3-2-4-23(15-22)29-40-42-31(48-29)38-27(46)14-21-7-11-25(12-8-21)44-18-33(35,36)19-44;1-45-23-15-41(16-23)25-10-4-8-21(33-25)13-27(43)35-31-39-37-29(47-31)19-6-3-7-20(12-19)30-38-40-32(48-30)36-28(44)14-22-9-5-11-26(34-22)42-17-24(18-42)46-2;1-30(32)14-43(15-30)22-9-3-7-20(35-22)12-24(45)37-28-41-39-26(47-28)18-5-2-6-19(11-18)27-40-42-29(48-27)38-25(46)13-21-8-4-10-23(36-21)44-16-31(33,34)17-44;41-25(17-21-8-2-10-23(31-21)39-12-4-13-39)33-29-37-35-27(43-29)19-6-1-7-20(16-19)28-36-38-30(44-28)34-26(42)18-22-9-3-11-24(32-22)40-14-5-15-40/h4-11,25-26H,1-3,12-22H2,(H,35,39,43)(H,36,40,44);2-3,5-6,9-12,22-23H,4,7-8,13-19H2,1H3,(H,37,41,45)(H,38,42,46);5-12,22-23H,2-4,13-19H2,1H3,(H,37,41,45)(H,38,42,46);4-5,8-11,19-20,23-24H,3,6-7,12-18H2,1-2H3,(H,35,39,43)(H,36,40,44);3-4,7-10,18-19H,2,5-6,11-17H2,1H3,(H,37,41,45)(H,38,42,46);2-3,8-11,19-20H,1,4-7,12-18H2,(H,33,37,41)(H,34,38,42)/t25-,26-;2*22-,23-;19-,20-;18-,19-;19-,20-/m000000/s1.
What are the key properties of 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 4102.99 g/mol, XLogP of 30.30, 62 rotatable bonds, 12 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(azetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(azetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;N-[5-[(1S,3S)-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]-2-[3-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[4-(3,3-difluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[4-(3-fluoro-3-methylazetidin-1-yl)phenyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]-N-[5-[(1S,3S)-3-[5-[[2-[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-morpholin-4-ylphenyl)-N-[5-[(1S,3S)-3-[5-[[2-(4-morpholin-4-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 157163447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).