5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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

C60H69F4N23O5S6 — CID 159131100

About 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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

5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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 (PubChem CID 159131100) has the molecular formula C60H69F4N23O5S6 and a molecular weight of 1460.76 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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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.

Molecular Properties

• Compound Name: 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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
• PubChem CID: 159131100
• Molecular Formula: C60H69F4N23O5S6
• Molecular Weight: 1460.76 g/mol
• Exact Mass: 1459.41
• IUPAC Name: 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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
• SMILES: COCCOc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cccc(N6CC(F)(F)C6)n5)s4)C3)s2)nc1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1
• InChI: InChI=1S/C30H33F2N9O4S2.C20H22F2N8OS2.C10H14N6S2/c1-44-10-11-45-22-9-8-20(33-15-22)13-24(42)35-28-39-37-26(46-28)18-4-2-5-19(12-18)27-38-40-29(47-27)36-25(43)14-21-6-3-7-23(34-21)41-16-30(31,32)17-41;21-20(22)9-30(10-20)14-6-2-5-13(24-14)8-15(31)25-19-29-27-17(33-19)12-4-1-3-11(7-12)16-26-28-18(23)32-16;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8/h3,6-9,15,18-19H,2,4-5,10-14,16-17H2,1H3,(H,35,39,42)(H,36,40,43);2,5-6,11-12H,1,3-4,7-10H2,(H2,23,28)(H,25,29,31);5-6H,1-4H2,(H2,11,15)(H2,12,16)/t18-,19-;11-,12-;5-,6-/m000/s1
• InChIKey: KGXCVVPBIKEIBP-HJNIWESISA-N
• XLogP: 9.90
• TPSA: 383.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1460.76
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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?

The IUPAC name of 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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 159131100) is 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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.

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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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?

The canonical SMILES for 5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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 is COCCOc1ccc(CC(=O)Nc2nnc([C@H]3CCC[C@H](c4nnc(NC(=O)Cc5cccc(N6CC(F)(F)C6)n5)s4)C3)s2)nc1.Nc1nnc([C@H]2CCC[C@H](c3nnc(N)s3)C2)s1.Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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?

The InChIKey is KGXCVVPBIKEIBP-HJNIWESISA-N. The full InChI is InChI=1S/C30H33F2N9O4S2.C20H22F2N8OS2.C10H14N6S2/c1-44-10-11-45-22-9-8-20(33-15-22)13-24(42)35-28-39-37-26(46-28)18-4-2-5-19(12-18)27-38-40-29(47-27)36-25(43)14-21-6-3-7-23(34-21)41-16-30(31,32)17-41;21-20(22)9-30(10-20)14-6-2-5-13(24-14)8-15(31)25-19-29-27-17(33-19)12-4-1-3-11(7-12)16-26-28-18(23)32-16;11-9-15-13-7(17-9)5-2-1-3-6(4-5)8-14-16-10(12)18-8/h3,6-9,15,18-19H,2,4-5,10-14,16-17H2,1H3,(H,35,39,42)(H,36,40,43);2,5-6,11-12H,1,3-4,7-10H2,(H2,23,28)(H,25,29,31);5-6H,1-4H2,(H2,11,15)(H2,12,16)/t18-,19-;11-,12-;5-,6-/m000/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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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?

5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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 has a molecular weight of 1460.76 g/mol, XLogP of 9.90, 21 rotatable bonds, 6 hydrogen bond donors, and 31 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;N-[5-[(1S,3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetamide;2-[6-(3,3-difluoroazetidin-1-yl)-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 is sourced from PubChem (CID 159131100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).