N'-(5-chloro-2-pyridinyl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide

C23H29ClN8O4S — CID 10392755

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-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide (PubChem CID 10392755) has the molecular formula C23H29ClN8O4S and a molecular weight of 549.06 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-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide
• PubChem CID: 10392755
• Molecular Formula: C23H29ClN8O4S
• Molecular Weight: 549.06 g/mol
• Exact Mass: 548.17
• 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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide
• SMILES: CN1CCN(C(=O)C(CNC(=O)C(=O)Nc2ccc(Cl)cn2)NC(=O)c2nc3c(s2)CN(C)CC3)CC1
• InChI: InChI=1S/C23H29ClN8O4S/c1-30-7-9-32(10-8-30)23(36)16(12-26-19(33)20(34)29-18-4-3-14(24)11-25-18)27-21(35)22-28-15-5-6-31(2)13-17(15)37-22/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,26,33)(H,27,35)(H,25,29,34)
• InChIKey: LDHIMFXKKMTEQU-UHFFFAOYSA-N
• XLogP: -0.19
• TPSA: 139.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.06
LogP ≤ 5	-0.19
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-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide (CID 10392755) 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-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide is CN1CCN(C(=O)C(CNC(=O)C(=O)Nc2ccc(Cl)cn2)NC(=O)c2nc3c(s2)CN(C)CC3)CC1.

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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide?

The InChIKey is LDHIMFXKKMTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN8O4S/c1-30-7-9-32(10-8-30)23(36)16(12-26-19(33)20(34)29-18-4-3-14(24)11-25-18)27-21(35)22-28-15-5-6-31(2)13-17(15)37-22/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,26,33)(H,27,35)(H,25,29,34).

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-(4-methylpiperazin-1-yl)-3-oxopropyl]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-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide has a molecular weight of 549.06 g/mol, XLogP of -0.19, 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-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]oxamide is sourced from PubChem (CID 10392755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).