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

C16H24N6O5S2 — CID 154053124

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

N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide (PubChem CID 154053124) has the molecular formula C16H24N6O5S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide.

Molecular Properties

• Compound Name: N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide
• PubChem CID: 154053124
• Molecular Formula: C16H24N6O5S2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.12
• IUPAC Name: N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide
• SMILES: CN1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)C(N)=O)sc2C1
• InChI: InChI=1S/C16H24N6O5S2/c1-21-5-3-10-12(8-21)28-16(20-10)15(25)19-11-7-22(29(2,26)27)6-4-9(11)18-14(24)13(17)23/h9,11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,25)/t9-,11+/m0/s1
• InChIKey: DBNDZXLWAOYVOK-GXSJLCMTSA-N
• XLogP: -2.14
• TPSA: 154.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	-2.14
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-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide?

The IUPAC name of N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide (CID 154053124) is N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide.

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

The canonical SMILES for N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide is CN1CCc2nc(C(=O)N[C@@H]3CN(S(C)(=O)=O)CC[C@@H]3NC(=O)C(N)=O)sc2C1.

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

The InChIKey is DBNDZXLWAOYVOK-GXSJLCMTSA-N. The full InChI is InChI=1S/C16H24N6O5S2/c1-21-5-3-10-12(8-21)28-16(20-10)15(25)19-11-7-22(29(2,26)27)6-4-9(11)18-14(24)13(17)23/h9,11H,3-8H2,1-2H3,(H2,17,23)(H,18,24)(H,19,25)/t9-,11+/m0/s1.

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

N'-[(3R,4S)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide has a molecular weight of 444.54 g/mol, XLogP of -2.14, 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-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-1-methylsulfonylpiperidin-4-yl]oxamide is sourced from PubChem (CID 154053124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).