N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide

C26H38N8O2S — CID 177337755

About N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide

N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide (PubChem CID 177337755) has the molecular formula C26H38N8O2S and a molecular weight of 526.71 g/mol. Its IUPAC name is N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide
• PubChem CID: 177337755
• Molecular Formula: C26H38N8O2S
• Molecular Weight: 526.71 g/mol
• Exact Mass: 526.28
• IUPAC Name: N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide
• SMILES: O=C(C[C@H]1CN(C2CCC3(CCCC3)CC2)CCO1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1
• InChI: InChI=1S/C26H38N8O2S/c35-23(16-21-18-33(14-15-36-21)20-5-10-26(11-6-20)8-1-2-9-26)29-25-32-31-24(37-25)28-19-7-13-34(17-19)22-4-3-12-27-30-22/h3-4,12,19-21H,1-2,5-11,13-18H2,(H,28,31)(H,29,32,35)/t19-,21+/m1/s1
• InChIKey: QQJCZTTVWXHIBK-CTNGQTDRSA-N
• XLogP: 3.55
• TPSA: 108.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.71
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide?

The IUPAC name of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide (CID 177337755) is N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide?

The canonical SMILES for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide is O=C(C[C@H]1CN(C2CCC3(CCCC3)CC2)CCO1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1.

What is the InChIKey of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide?

The InChIKey is QQJCZTTVWXHIBK-CTNGQTDRSA-N. The full InChI is InChI=1S/C26H38N8O2S/c35-23(16-21-18-33(14-15-36-21)20-5-10-26(11-6-20)8-1-2-9-26)29-25-32-31-24(37-25)28-19-7-13-34(17-19)22-4-3-12-27-30-22/h3-4,12,19-21H,1-2,5-11,13-18H2,(H,28,31)(H,29,32,35)/t19-,21+/m1/s1.

What are the key properties of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide?

N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide has a molecular weight of 526.71 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2S)-4-spiro[4.5]decan-8-ylmorpholin-2-yl]acetamide is sourced from PubChem (CID 177337755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).