2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

C26H23F3N6O4S2 — CID 118435976

About 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118435976) has the molecular formula C26H23F3N6O4S2 and a molecular weight of 604.64 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 118435976
• Molecular Formula: C26H23F3N6O4S2
• Molecular Weight: 604.64 g/mol
• Exact Mass: 604.12
• IUPAC Name: 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc([C@H]2CC[C@H](c3nnc(NC(=O)C(O)c4ccccc4)s3)C2)s1
• InChI: InChI=1S/C26H23F3N6O4S2/c27-26(28,29)39-18-8-4-5-14(11-18)12-19(36)30-24-34-32-22(40-24)16-9-10-17(13-16)23-33-35-25(41-23)31-21(38)20(37)15-6-2-1-3-7-15/h1-8,11,16-17,20,37H,9-10,12-13H2,(H,30,34,36)(H,31,35,38)/t16-,17-,20?/m0/s1
• InChIKey: YPSRCFKMABYZEG-NBJLRHFZSA-N
• XLogP: 5.19
• TPSA: 139.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.64
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 118435976) is 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

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

The canonical SMILES for 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc([C@H]2CC[C@H](c3nnc(NC(=O)C(O)c4ccccc4)s3)C2)s1.

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

The InChIKey is YPSRCFKMABYZEG-NBJLRHFZSA-N. The full InChI is InChI=1S/C26H23F3N6O4S2/c27-26(28,29)39-18-8-4-5-14(11-18)12-19(36)30-24-34-32-22(40-24)16-9-10-17(13-16)23-33-35-25(41-23)31-21(38)20(37)15-6-2-1-3-7-15/h1-8,11,16-17,20,37H,9-10,12-13H2,(H,30,34,36)(H,31,35,38)/t16-,17-,20?/m0/s1.

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

2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 604.64 g/mol, XLogP of 5.19, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118435976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).