2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide

C23H24N8O2S2 — CID 146202142

About 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide

2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 146202142) has the molecular formula C23H24N8O2S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide
• PubChem CID: 146202142
• Molecular Formula: C23H24N8O2S2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.15
• IUPAC Name: 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide
• SMILES: O=C(Cc1ccccn1)NC1=NNC(C2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)S1
• InChI: InChI=1S/C23H24N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15,20,28H,7-8,11-13H2,(H,26,30,32)(H,27,31,33)
• InChIKey: OCGCNPFDQHZCRL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 134.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide (CID 146202142) is 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide.

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

The canonical SMILES for 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide is O=C(Cc1ccccn1)NC1=NNC(C2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)S1.

What is the InChIKey of 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide?

The InChIKey is OCGCNPFDQHZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2S2/c32-18(12-16-5-1-3-9-24-16)26-22-30-28-20(34-22)14-7-8-15(11-14)21-29-31-23(35-21)27-19(33)13-17-6-2-4-10-25-17/h1-6,9-10,14-15,20,28H,7-8,11-13H2,(H,26,30,32)(H,27,31,33).

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

2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 508.63 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-N-[2-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-2,3-dihydro-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 146202142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).