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

C26H24F4N8O4S2 — CID 123694856

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

2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 123694856) has the molecular formula C26H24F4N8O4S2 and a molecular weight of 652.66 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 123694856
• Molecular Formula: C26H24F4N8O4S2
• Molecular Weight: 652.66 g/mol
• Exact Mass: 652.13
• IUPAC Name: 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccc(OC(F)F)cn1)Nc1nnc(C2CCCC(c3nnc(NC(=O)Cc4ccc(OC(F)F)cn4)s3)C2)s1
• InChI: InChI=1S/C26H24F4N8O4S2/c27-23(28)41-17-6-4-15(31-11-17)9-19(39)33-25-37-35-21(43-25)13-2-1-3-14(8-13)22-36-38-26(44-22)34-20(40)10-16-5-7-18(12-32-16)42-24(29)30/h4-7,11-14,23-24H,1-3,8-10H2,(H,33,37,39)(H,34,38,40)
• InChIKey: CDIHVIDWEXYVPY-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 154.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	652.66
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 123694856) is 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccc(OC(F)F)cn1)Nc1nnc(C2CCCC(c3nnc(NC(=O)Cc4ccc(OC(F)F)cn4)s3)C2)s1.

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

The InChIKey is CDIHVIDWEXYVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N8O4S2/c27-23(28)41-17-6-4-15(31-11-17)9-19(39)33-25-37-35-21(43-25)13-2-1-3-14(8-13)22-36-38-26(44-22)34-20(40)10-16-5-7-18(12-32-16)42-24(29)30/h4-7,11-14,23-24H,1-3,8-10H2,(H,33,37,39)(H,34,38,40).

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

2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 652.66 g/mol, XLogP of 5.19, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-2-pyridinyl]-N-[5-[3-[5-[[2-[5-(difluoromethoxy)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 123694856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).