N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride

C20H21Cl2N7O4S — CID 69483427

About N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride

N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride (PubChem CID 69483427) has the molecular formula C20H21Cl2N7O4S and a molecular weight of 526.41 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride
• PubChem CID: 69483427
• Molecular Formula: C20H21Cl2N7O4S
• Molecular Weight: 526.41 g/mol
• Exact Mass: 525.08
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride
• SMILES: CN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)c3cnco3)sc2C1.Cl
• InChI: InChI=1S/C20H20ClN7O4S.ClH/c1-28-5-4-12-15(9-28)33-20(26-12)19(31)25-13(14-8-22-10-32-14)7-24-17(29)18(30)27-16-3-2-11(21)6-23-16;/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,24,29)(H,25,31)(H,23,27,30);1H/t13-;/m0./s1
• InChIKey: WVGQHXQPVHCIMN-ZOWNYOTGSA-N
• XLogP: 1.82
• TPSA: 142.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.41
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride (CID 69483427) is N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride.

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

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cn3)c3cnco3)sc2C1.Cl.

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

The InChIKey is WVGQHXQPVHCIMN-ZOWNYOTGSA-N. The full InChI is InChI=1S/C20H20ClN7O4S.ClH/c1-28-5-4-12-15(9-28)33-20(26-12)19(31)25-13(14-8-22-10-32-14)7-24-17(29)18(30)27-16-3-2-11(21)6-23-16;/h2-3,6,8,10,13H,4-5,7,9H2,1H3,(H,24,29)(H,25,31)(H,23,27,30);1H/t13-;/m0./s1.

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

N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride has a molecular weight of 526.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[(2S)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-2-(1,3-oxazol-5-yl)ethyl]oxamide;hydrochloride is sourced from PubChem (CID 69483427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).