N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide

C21H21ClN8O4S2 — CID 10437513

About N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide (PubChem CID 10437513) has the molecular formula C21H21ClN8O4S2 and a molecular weight of 549.04 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide
• PubChem CID: 10437513
• Molecular Formula: C21H21ClN8O4S2
• Molecular Weight: 549.04 g/mol
• Exact Mass: 548.08
• IUPAC Name: N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)Nc3nccs3)sc2C1
• InChI: InChI=1S/C21H21ClN8O4S2/c1-30-6-4-12-14(10-30)36-20(27-12)19(34)26-13(16(31)29-21-23-5-7-35-21)9-25-17(32)18(33)28-15-3-2-11(22)8-24-15/h2-3,5,7-8,13H,4,6,9-10H2,1H3,(H,25,32)(H,26,34)(H,23,29,31)(H,24,28,33)
• InChIKey: ANNHCDUYUUCMHC-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 158.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.04
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide?

The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide (CID 10437513) is N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide.

What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide?

The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide is CN1CCc2nc(C(=O)NC(CNC(=O)C(=O)Nc3ccc(Cl)cn3)C(=O)Nc3nccs3)sc2C1.

What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide?

The InChIKey is ANNHCDUYUUCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN8O4S2/c1-30-6-4-12-14(10-30)36-20(27-12)19(34)26-13(16(31)29-21-23-5-7-35-21)9-25-17(32)18(33)28-15-3-2-11(22)8-24-15/h2-3,5,7-8,13H,4,6,9-10H2,1H3,(H,25,32)(H,26,34)(H,23,29,31)(H,24,28,33).

What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide?

N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide has a molecular weight of 549.04 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-(1,3-thiazol-2-ylamino)propyl]oxamide is sourced from PubChem (CID 10437513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).