N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

C23H24N8O3S2 — CID 90163161

About N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 90163161) has the molecular formula C23H24N8O3S2 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• PubChem CID: 90163161
• Molecular Formula: C23H24N8O3S2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.14
• IUPAC Name: N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• SMILES: O=C(Cc1ccccn1)Nc1nnc(CCC(O)CCc2nnc(NC(=O)Cc3ccccn3)s2)s1
• InChI: InChI=1S/C23H24N8O3S2/c32-17(7-9-20-28-30-22(35-20)26-18(33)13-15-5-1-3-11-24-15)8-10-21-29-31-23(36-21)27-19(34)14-16-6-2-4-12-25-16/h1-6,11-12,17,32H,7-10,13-14H2,(H,26,30,33)(H,27,31,34)
• InChIKey: VJFKZGFOZMNOTC-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 155.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (CID 90163161) is N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1nnc(CCC(O)CCc2nnc(NC(=O)Cc3ccccn3)s2)s1.

What is the InChIKey of N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The InChIKey is VJFKZGFOZMNOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3S2/c32-17(7-9-20-28-30-22(35-20)26-18(33)13-15-5-1-3-11-24-15)8-10-21-29-31-23(36-21)27-19(34)14-16-6-2-4-12-25-16/h1-6,11-12,17,32H,7-10,13-14H2,(H,26,30,33)(H,27,31,34).

What are the key properties of N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 524.63 g/mol, XLogP of 2.47, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-hydroxy-5-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 90163161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).