N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

C24H26N8O2S2 — CID 147368425

About N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 147368425) has the molecular formula C24H26N8O2S2 and a molecular weight of 522.66 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• PubChem CID: 147368425
• Molecular Formula: C24H26N8O2S2
• Molecular Weight: 522.66 g/mol
• Exact Mass: 522.16
• IUPAC Name: N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• SMILES: O=C(CCn1cccn1)Cc1nnc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1
• InChI: InChI=1S/C24H26N8O2S2/c33-19(7-11-32-10-3-9-26-32)15-22-29-28-21(35-22)13-16-5-6-17(12-16)23-30-31-24(36-23)27-20(34)14-18-4-1-2-8-25-18/h1-4,8-10,16-17H,5-7,11-15H2,(H,27,31,34)/t16-,17+/m0/s1
• InChIKey: DIPZYUAQYNPFCA-DLBZAZTESA-N
• XLogP: 3.49
• TPSA: 128.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.66
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (CID 147368425) is N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is O=C(CCn1cccn1)Cc1nnc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1.

What is the InChIKey of N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The InChIKey is DIPZYUAQYNPFCA-DLBZAZTESA-N. The full InChI is InChI=1S/C24H26N8O2S2/c33-19(7-11-32-10-3-9-26-32)15-22-29-28-21(35-22)13-16-5-6-17(12-16)23-30-31-24(36-23)27-20(34)14-18-4-1-2-8-25-18/h1-4,8-10,16-17H,5-7,11-15H2,(H,27,31,34)/t16-,17+/m0/s1.

What are the key properties of N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 522.66 g/mol, XLogP of 3.49, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R,3S)-3-[[5-(2-oxo-4-pyrazol-1-ylbutyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 147368425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).