N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide

C47H56F2N16O4S4 — CID 159602056

About N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 159602056) has the molecular formula C47H56F2N16O4S4 and a molecular weight of 1075.34 g/mol. Its IUPAC name is N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 159602056
• Molecular Formula: C47H56F2N16O4S4
• Molecular Weight: 1075.34 g/mol
• Exact Mass: 1074.35
• IUPAC Name: N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(C)(F)C5)n4)s3)C2)s1.CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(C)(F)C5)n4)s3)C2)s1
• InChI: InChI=1S/C24H29FN8O2S2.C23H27FN8O2S2/c1-3-18(34)27-22-31-29-20(36-22)14-6-4-7-15(10-14)21-30-32-23(37-21)28-19(35)11-16-8-5-9-17(26-16)33-12-24(2,25)13-33;1-13(33)25-21-30-28-19(35-21)14-5-3-6-15(9-14)20-29-31-22(36-20)27-18(34)10-16-7-4-8-17(26-16)32-11-23(2,24)12-32/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,27,31,34)(H,28,32,35);4,7-8,14-15H,3,5-6,9-12H2,1-2H3,(H,25,30,33)(H,27,31,34)/t2*14-,15-/m00/s1
• InChIKey: MLPHZVDXDQZTGP-BKVTYJKYSA-N
• XLogP: 8.22
• TPSA: 251.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.34
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 159602056) is N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is CC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(C)(F)C5)n4)s3)C2)s1.CCC(=O)Nc1nnc([C@H]2CCC[C@H](c3nnc(NC(=O)Cc4cccc(N5CC(C)(F)C5)n4)s3)C2)s1.

What is the InChIKey of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is MLPHZVDXDQZTGP-BKVTYJKYSA-N. The full InChI is InChI=1S/C24H29FN8O2S2.C23H27FN8O2S2/c1-3-18(34)27-22-31-29-20(36-22)14-6-4-7-15(10-14)21-30-32-23(37-21)28-19(35)11-16-8-5-9-17(26-16)33-12-24(2,25)13-33;1-13(33)25-21-30-28-19(35-21)14-5-3-6-15(9-14)20-29-31-22(36-20)27-18(34)10-16-7-4-8-17(26-16)32-11-23(2,24)12-32/h5,8-9,14-15H,3-4,6-7,10-13H2,1-2H3,(H,27,31,34)(H,28,32,35);4,7-8,14-15H,3,5-6,9-12H2,1-2H3,(H,25,30,33)(H,27,31,34)/t2*14-,15-/m00/s1.

What are the key properties of N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?

N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 1075.34 g/mol, XLogP of 8.22, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetamide;N-[5-[(1S,3S)-3-[5-[[2-[6-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 159602056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).