N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C19H23ClN8O3S2 — CID 58893803

About N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 58893803) has the molecular formula C19H23ClN8O3S2 and a molecular weight of 511.03 g/mol. Its IUPAC name is N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 58893803
• Molecular Formula: C19H23ClN8O3S2
• Molecular Weight: 511.03 g/mol
• Exact Mass: 510.10
• IUPAC Name: N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=S)C(=O)Nc3ccc(Cl)nn3)C(=O)N(C)C)sc2C1
• InChI: InChI=1S/C19H23ClN8O3S2/c1-27(2)19(31)11(8-21-17(32)15(29)24-14-5-4-13(20)25-26-14)22-16(30)18-23-10-6-7-28(3)9-12(10)33-18/h4-5,11H,6-9H2,1-3H3,(H,21,32)(H,22,30)(H,24,26,29)
• InChIKey: NYINPFSNIRBMIZ-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 132.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.03
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 58893803) is N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC(CNC(=S)C(=O)Nc3ccc(Cl)nn3)C(=O)N(C)C)sc2C1.

What is the InChIKey of N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is NYINPFSNIRBMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN8O3S2/c1-27(2)19(31)11(8-21-17(32)15(29)24-14-5-4-13(20)25-26-14)22-16(30)18-23-10-6-7-28(3)9-12(10)33-18/h4-5,11H,6-9H2,1-3H3,(H,21,32)(H,22,30)(H,24,26,29).

What are the key properties of N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 511.03 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-[(6-chloropyridazin-3-yl)amino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 58893803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).