2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide

C24H27N7O2S — CID 87813639

About 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide

2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide (PubChem CID 87813639) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide.

Molecular Properties

• Compound Name: 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide
• PubChem CID: 87813639
• Molecular Formula: C24H27N7O2S
• Molecular Weight: 477.59 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide
• SMILES: CONC(=O)C(C)NCc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1
• InChI: InChI=1S/C24H27N7O2S/c1-15-5-7-18(8-6-15)31(3)21-10-9-19-23(29-21)34-24(27-19)28-20-13-17(11-12-25-20)14-26-16(2)22(32)30-33-4/h5-13,16,26H,14H2,1-4H3,(H,30,32)(H,25,27,28)
• InChIKey: VCGDDWITKRCBDB-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 104.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.59
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide?

The IUPAC name of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide (CID 87813639) is 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide.

What is the SMILES notation for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide?

The canonical SMILES for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide is CONC(=O)C(C)NCc1ccnc(Nc2nc3ccc(N(C)c4ccc(C)cc4)nc3s2)c1.

What is the InChIKey of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide?

The InChIKey is VCGDDWITKRCBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-15-5-7-18(8-6-15)31(3)21-10-9-19-23(29-21)34-24(27-19)28-20-13-17(11-12-25-20)14-26-16(2)22(32)30-33-4/h5-13,16,26H,14H2,1-4H3,(H,30,32)(H,25,27,28).

What are the key properties of 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide?

2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide has a molecular weight of 477.59 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methylamino]-N-methoxypropanamide is sourced from PubChem (CID 87813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).