2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

C148H154N46O14S12 — CID 157287759

IUPAC2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(N(C)C)cc5)s4)C3)s2)cc1.Cc1coc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(C)no5)s4)C3)s2)c1.O=C(Cc1ccccc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccnc4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccncc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccncc4)s3)C2)s1
InChIInChI=1S/C30H36N8O2S2.C25H25N7O2S2.C24H24N8O2S2.2C23H22N8O2S2.C23H25N7O4S2/c1-37(2)23-12-8-19(9-13-23)16-25(39)31-29-35-33-27(41-29)21-6-5-7-22(18-21)28-34-36-30(42-28)32-26(40)17-20-10-14-24(15-11-20)38(3)4;33-20(12-16-6-2-1-3-7-16)27-24-31-29-22(35-24)18-9-4-10-19(14-18)23-30-32-25(36-23)28-21(34)13-17-8-5-11-26-15-17;33-19(12-15-4-8-25-9-5-15)27-23-31-29-21(35-23)17-2-1-3-18(14-17)22-30-32-24(36-22)28-20(34)13-16-6-10-26-11-7-16;2*32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17;1-12-6-16(33-11-12)9-18(31)24-22-28-26-20(35-22)14-4-3-5-15(8-14)21-27-29-23(36-21)25-19(32)10-17-7-13(2)30-34-17/h8-15,21-22H,5-7,16-18H2,1-4H3,(H,31,35,39)(H,32,36,40);1-3,5-8,11,15,18-19H,4,9-10,12-14H2,(H,27,31,33)(H,28,32,34);4-11,17-18H,1-3,12-14H2,(H,27,31,33)(H,28,32,34);2*1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33);6-7,11,14-15H,3-5,8-10H2,1-2H3,(H,24,28,31)(H,25,29,32)/t21-,22-;18-,19-;17-,18-;14-,15+;2*14-,15-/m000.10/s1
InChIKeyBALAGAFLFNMUJI-SNBRLRECSA-N
MW3185.97 g/mol
LogP25.48
Rot. Bonds50

About 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 157287759) has the molecular formula C148H154N46O14S12 and a molecular weight of 3185.97 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID157287759
Molecular FormulaC148H154N46O14S12
Molecular Weight3185.97 g/mol
Exact Mass3182.94
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(N(C)C)cc5)s4)C3)s2)cc1.Cc1coc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(C)no5)s4)C3)s2)c1.O=C(Cc1ccccc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccnc4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccncc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccncc4)s3)C2)s1
InChIInChI=1S/C30H36N8O2S2.C25H25N7O2S2.C24H24N8O2S2.2C23H22N8O2S2.C23H25N7O4S2/c1-37(2)23-12-8-19(9-13-23)16-25(39)31-29-35-33-27(41-29)21-6-5-7-22(18-21)28-34-36-30(42-28)32-26(40)17-20-10-14-24(15-11-20)38(3)4;33-20(12-16-6-2-1-3-7-16)27-24-31-29-22(35-24)18-9-4-10-19(14-18)23-30-32-25(36-23)28-21(34)13-17-8-5-11-26-15-17;33-19(12-15-4-8-25-9-5-15)27-23-31-29-21(35-23)17-2-1-3-18(14-17)22-30-32-24(36-22)28-20(34)13-16-6-10-26-11-7-16;2*32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17;1-12-6-16(33-11-12)9-18(31)24-22-28-26-20(35-22)14-4-3-5-15(8-14)21-27-29-23(36-21)25-19(32)10-17-7-13(2)30-34-17/h8-15,21-22H,5-7,16-18H2,1-4H3,(H,31,35,39)(H,32,36,40);1-3,5-8,11,15,18-19H,4,9-10,12-14H2,(H,27,31,33)(H,28,32,34);4-11,17-18H,1-3,12-14H2,(H,27,31,33)(H,28,32,34);2*1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33);6-7,11,14-15H,3-5,8-10H2,1-2H3,(H,24,28,31)(H,25,29,32)/t21-,22-;18-,19-;17-,18-;14-,15+;2*14-,15-/m000.10/s1
InChIKeyBALAGAFLFNMUJI-SNBRLRECSA-N
XLogP25.48
TPSA794.44 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds50
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003185.97
LogP ≤ 525.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 157287759) is 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is CN(C)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(N(C)C)cc5)s4)C3)s2)cc1.Cc1coc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cc(C)no5)s4)C3)s2)c1.O=C(Cc1ccccc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccnc4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccccn1)Nc1nnc([C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.O=C(Cc1ccncc1)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4ccncc4)s3)C2)s1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BALAGAFLFNMUJI-SNBRLRECSA-N. The full InChI is InChI=1S/C30H36N8O2S2.C25H25N7O2S2.C24H24N8O2S2.2C23H22N8O2S2.C23H25N7O4S2/c1-37(2)23-12-8-19(9-13-23)16-25(39)31-29-35-33-27(41-29)21-6-5-7-22(18-21)28-34-36-30(42-28)32-26(40)17-20-10-14-24(15-11-20)38(3)4;33-20(12-16-6-2-1-3-7-16)27-24-31-29-22(35-24)18-9-4-10-19(14-18)23-30-32-25(36-23)28-21(34)13-17-8-5-11-26-15-17;33-19(12-15-4-8-25-9-5-15)27-23-31-29-21(35-23)17-2-1-3-18(14-17)22-30-32-24(36-22)28-20(34)13-16-6-10-26-11-7-16;2*32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17;1-12-6-16(33-11-12)9-18(31)24-22-28-26-20(35-22)14-4-3-5-15(8-14)21-27-29-23(36-21)25-19(32)10-17-7-13(2)30-34-17/h8-15,21-22H,5-7,16-18H2,1-4H3,(H,31,35,39)(H,32,36,40);1-3,5-8,11,15,18-19H,4,9-10,12-14H2,(H,27,31,33)(H,28,32,34);4-11,17-18H,1-3,12-14H2,(H,27,31,33)(H,28,32,34);2*1-6,9-10,14-15H,7-8,11-13H2,(H,26,30,32)(H,27,31,33);6-7,11,14-15H,3-5,8-10H2,1-2H3,(H,24,28,31)(H,25,29,32)/t21-,22-;18-,19-;17-,18-;14-,15+;2*14-,15-/m000.10/s1.
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 3185.97 g/mol, XLogP of 25.48, 50 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(dimethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-(4-methylfuran-2-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-4-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-4-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1S,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide;2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 157287759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).