5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate

C68H92N16O6S4 — CID 159205125

About 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate

5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate (PubChem CID 159205125) has the molecular formula C68H92N16O6S4 and a molecular weight of 1357.86 g/mol. Its IUPAC name is 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate.

Molecular Properties

• Compound Name: 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate
• PubChem CID: 159205125
• Molecular Formula: C68H92N16O6S4
• Molecular Weight: 1357.86 g/mol
• Exact Mass: 1356.63
• IUPAC Name: 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate
• SMILES: CCN(CC)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(N(CC)CC)cc5)s4)C3)s2)cc1.CCOC(=O)Cc1ccc(N(CC)CC)cc1.CCOC(=O)Cc1ccc(N)cc1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1
• InChI: InChI=1S/C34H44N8O2S2.C14H21NO2.C10H14N6S2.C10H13NO2/c1-5-41(6-2)27-16-12-23(13-17-27)20-29(43)35-33-39-37-31(45-33)25-10-9-11-26(22-25)32-38-40-34(46-32)36-30(44)21-24-14-18-28(19-15-24)42(7-3)8-4;1-4-15(5-2)13-9-7-12(8-10-13)11-14(16)17-6-3;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8;1-2-13-10(12)7-8-3-5-9(11)6-4-8/h12-19,25-26H,5-11,20-22H2,1-4H3,(H,35,39,43)(H,36,40,44);7-10H,4-6,11H2,1-3H3;5-6H,1-4H2,(H2,11,15)(H2,12,16);3-6H,2,7,11H2,1H3/t25-,26-;;5-,6-;/m0.0./s1
• InChIKey: KPTYQEADEKJXPO-VQZBZFABSA-N
• XLogP: 12.89
• TPSA: 301.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.86
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate?

The IUPAC name of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate (CID 159205125) is 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate.

What is the SMILES notation for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate?

The canonical SMILES for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate is CCN(CC)c1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5ccc(N(CC)CC)cc5)s4)C3)s2)cc1.CCOC(=O)Cc1ccc(N(CC)CC)cc1.CCOC(=O)Cc1ccc(N)cc1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.

What is the InChIKey of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate?

The InChIKey is KPTYQEADEKJXPO-VQZBZFABSA-N. The full InChI is InChI=1S/C34H44N8O2S2.C14H21NO2.C10H14N6S2.C10H13NO2/c1-5-41(6-2)27-16-12-23(13-17-27)20-29(43)35-33-39-37-31(45-33)25-10-9-11-26(22-25)32-38-40-34(46-32)36-30(44)21-24-14-18-28(19-15-24)42(7-3)8-4;1-4-15(5-2)13-9-7-12(8-10-13)11-14(16)17-6-3;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8;1-2-13-10(12)7-8-3-5-9(11)6-4-8/h12-19,25-26H,5-11,20-22H2,1-4H3,(H,35,39,43)(H,36,40,44);7-10H,4-6,11H2,1-3H3;5-6H,1-4H2,(H2,11,15)(H2,12,16);3-6H,2,7,11H2,1H3/t25-,26-;;5-,6-;/m0.0./s1.

What are the key properties of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate?

5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate has a molecular weight of 1357.86 g/mol, XLogP of 12.89, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;2-[4-(diethylamino)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[4-(diethylamino)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide;ethyl 2-(4-aminophenyl)acetate;ethyl 2-[4-(diethylamino)phenyl]acetate is sourced from PubChem (CID 159205125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).