2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide

C22H24F2N6O3S — CID 166957535

About 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide

2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 166957535) has the molecular formula C22H24F2N6O3S and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 166957535
• Molecular Formula: C22H24F2N6O3S
• Molecular Weight: 490.54 g/mol
• Exact Mass: 490.16
• IUPAC Name: 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: COC(C(=O)Nc1nnc(NC2CCC(c3cccnn3)CC2)s1)c1cccc(OC(F)F)c1
• InChI: InChI=1S/C22H24F2N6O3S/c1-32-18(14-4-2-5-16(12-14)33-20(23)24)19(31)27-22-30-29-21(34-22)26-15-9-7-13(8-10-15)17-6-3-11-25-28-17/h2-6,11-13,15,18,20H,7-10H2,1H3,(H,26,29)(H,27,30,31)
• InChIKey: OYILXJGMGDHSLF-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 111.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide (CID 166957535) is 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide is COC(C(=O)Nc1nnc(NC2CCC(c3cccnn3)CC2)s1)c1cccc(OC(F)F)c1.

What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is OYILXJGMGDHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O3S/c1-32-18(14-4-2-5-16(12-14)33-20(23)24)19(31)27-22-30-29-21(34-22)26-15-9-7-13(8-10-15)17-6-3-11-25-28-17/h2-6,11-13,15,18,20H,7-10H2,1H3,(H,26,29)(H,27,30,31).

What are the key properties of 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide?

2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 490.54 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[5-[(4-pyridazin-3-ylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 166957535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).