2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

C29H30F2N10O2S2 — CID 123481932

About 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 123481932) has the molecular formula C29H30F2N10O2S2 and a molecular weight of 652.76 g/mol. Its IUPAC name is 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 123481932
• Molecular Formula: C29H30F2N10O2S2
• Molecular Weight: 652.76 g/mol
• Exact Mass: 652.20
• IUPAC Name: 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccc(N2CC(F)C2)cn1)Nc1nnc(C2CCC(c3nnc(NC(=O)Cc4ccc(N5CC(F)C5)cn4)s3)C2)s1
• InChI: InChI=1S/C29H30F2N10O2S2/c30-18-12-40(13-18)22-5-3-20(32-10-22)8-24(42)34-28-38-36-26(44-28)16-1-2-17(7-16)27-37-39-29(45-27)35-25(43)9-21-4-6-23(11-33-21)41-14-19(31)15-41/h3-6,10-11,16-19H,1-2,7-9,12-15H2,(H,34,38,42)(H,35,39,43)
• InChIKey: RIUKVRAKTWJASS-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 142.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.76
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 123481932) is 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccc(N2CC(F)C2)cn1)Nc1nnc(C2CCC(c3nnc(NC(=O)Cc4ccc(N5CC(F)C5)cn4)s3)C2)s1.

What is the InChIKey of 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is RIUKVRAKTWJASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N10O2S2/c30-18-12-40(13-18)22-5-3-20(32-10-22)8-24(42)34-28-38-36-26(44-28)16-1-2-17(7-16)27-37-39-29(45-27)35-25(43)9-21-4-6-23(11-33-21)41-14-19(31)15-41/h3-6,10-11,16-19H,1-2,7-9,12-15H2,(H,34,38,42)(H,35,39,43).

What are the key properties of 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 652.76 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 123481932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).