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

C24H24N6O4S2 — CID 74982454

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

(2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 74982454) has the molecular formula C24H24N6O4S2 and a molecular weight of 524.63 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• PubChem CID: 74982454
• Molecular Formula: C24H24N6O4S2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.13
• IUPAC Name: (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• SMILES: O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)s1)[C@@H](O)c1ccccc1
• InChI: InChI=1S/C24H24N6O4S2/c31-19(15-9-3-1-4-10-15)21(33)25-23-29-27-17(35-23)13-7-8-14-18-28-30-24(36-18)26-22(34)20(32)16-11-5-2-6-12-16/h1-6,9-12,19-20,31-32H,7-8,13-14H2,(H,25,29,33)(H,26,30,34)/t19-,20-/m0/s1
• InChIKey: NQTDSXJWWJFUJP-PMACEKPBSA-N
• XLogP: 3.30
• TPSA: 150.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 74982454) is (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

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

The canonical SMILES for (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3ccccc3)s2)s1)[C@@H](O)c1ccccc1.

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

The InChIKey is NQTDSXJWWJFUJP-PMACEKPBSA-N. The full InChI is InChI=1S/C24H24N6O4S2/c31-19(15-9-3-1-4-10-15)21(33)25-23-29-27-17(35-23)13-7-8-14-18-28-30-24(36-18)26-22(34)20(32)16-11-5-2-6-12-16/h1-6,9-12,19-20,31-32H,7-8,13-14H2,(H,25,29,33)(H,26,30,34)/t19-,20-/m0/s1.

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

(2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 524.63 g/mol, XLogP of 3.30, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[5-[4-[5-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 74982454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).