2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C25H24N6O4S2 — CID 123387917

About 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 123387917) has the molecular formula C25H24N6O4S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• PubChem CID: 123387917
• Molecular Formula: C25H24N6O4S2
• Molecular Weight: 536.64 g/mol
• Exact Mass: 536.13
• IUPAC Name: 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• SMILES: O=C(Nc1nnc(C2CCC(c3nnc(NC(=O)C(O)c4ccccc4)s3)C2)s1)C(O)c1ccccc1
• InChI: InChI=1S/C25H24N6O4S2/c32-18(14-7-3-1-4-8-14)20(34)26-24-30-28-22(36-24)16-11-12-17(13-16)23-29-31-25(37-23)27-21(35)19(33)15-9-5-2-6-10-15/h1-10,16-19,32-33H,11-13H2,(H,26,30,34)(H,27,31,35)
• InChIKey: ARAYZDHPHKAXGX-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 150.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.64
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The IUPAC name of 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 123387917) is 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Nc1nnc(C2CCC(c3nnc(NC(=O)C(O)c4ccccc4)s3)C2)s1)C(O)c1ccccc1.

What is the InChIKey of 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The InChIKey is ARAYZDHPHKAXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S2/c32-18(14-7-3-1-4-8-14)20(34)26-24-30-28-22(36-24)16-11-12-17(13-16)23-29-31-25(37-23)27-21(35)19(33)15-9-5-2-6-10-15/h1-10,16-19,32-33H,11-13H2,(H,26,30,34)(H,27,31,35).

What are the key properties of 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 536.64 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[5-[3-[5-[(2-hydroxy-2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 123387917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).