N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide

C22H26ClN7O4S — CID 11965177

About N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide

N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide (PubChem CID 11965177) has the molecular formula C22H26ClN7O4S and a molecular weight of 520.02 g/mol. Its IUPAC name is N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide.

Molecular Properties

• Compound Name: N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide
• PubChem CID: 11965177
• Molecular Formula: C22H26ClN7O4S
• Molecular Weight: 520.02 g/mol
• Exact Mass: 519.15
• IUPAC Name: N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide
• SMILES: CC(=O)N1CCc2nc(C(=O)N[C@@H]3CN(C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
• InChI: InChI=1S/C22H26ClN7O4S/c1-12(31)30-8-6-15-17(11-30)35-22(27-15)21(34)26-16-10-29(2)7-5-14(16)25-19(32)20(33)28-18-4-3-13(23)9-24-18/h3-4,9,14,16H,5-8,10-11H2,1-2H3,(H,25,32)(H,26,34)(H,24,28,33)/t14-,16+/m0/s1
• InChIKey: RUGRDSGMGWNFRA-GOEBONIOSA-N
• XLogP: 0.65
• TPSA: 136.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.02
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide?

The IUPAC name of N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide (CID 11965177) is N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide.

What is the SMILES notation for N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide?

The canonical SMILES for N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide is CC(=O)N1CCc2nc(C(=O)N[C@@H]3CN(C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.

What is the InChIKey of N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide?

The InChIKey is RUGRDSGMGWNFRA-GOEBONIOSA-N. The full InChI is InChI=1S/C22H26ClN7O4S/c1-12(31)30-8-6-15-17(11-30)35-22(27-15)21(34)26-16-10-29(2)7-5-14(16)25-19(32)20(33)28-18-4-3-13(23)9-24-18/h3-4,9,14,16H,5-8,10-11H2,1-2H3,(H,25,32)(H,26,34)(H,24,28,33)/t14-,16+/m0/s1.

What are the key properties of N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide?

N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide has a molecular weight of 520.02 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-3-[(5-acetyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylpiperidin-4-yl]-N'-(5-chloro-2-pyridinyl)oxamide is sourced from PubChem (CID 11965177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).