N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C24H29N7O3S — CID 143903814

About N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 143903814) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 143903814
• Molecular Formula: C24H29N7O3S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.21
• IUPAC Name: N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide
• SMILES: [H]/N=C/c1c(N)cc(-c2cnc(OC)c(N)c2)cc1NC(=O)c1csc(CN2C[C@@H](C)O[C@@H](C)C2)n1
• InChI: InChI=1S/C24H29N7O3S/c1-13-9-31(10-14(2)34-13)11-22-29-21(12-35-22)23(32)30-20-6-15(4-18(26)17(20)7-25)16-5-19(27)24(33-3)28-8-16/h4-8,12-14,25H,9-11,26-27H2,1-3H3,(H,30,32)/b25-7+/t13-,14+
• InChIKey: LOSQPOSLOGVJLD-GEZSSKFNSA-N
• XLogP: 3.24
• TPSA: 152.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 143903814) is N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide is [H]/N=C/c1c(N)cc(-c2cnc(OC)c(N)c2)cc1NC(=O)c1csc(CN2C[C@@H](C)O[C@@H](C)C2)n1.

What is the InChIKey of N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is LOSQPOSLOGVJLD-GEZSSKFNSA-N. The full InChI is InChI=1S/C24H29N7O3S/c1-13-9-31(10-14(2)34-13)11-22-29-21(12-35-22)23(32)30-20-6-15(4-18(26)17(20)7-25)16-5-19(27)24(33-3)28-8-16/h4-8,12-14,25H,9-11,26-27H2,1-3H3,(H,30,32)/b25-7+/t13-,14+.

What are the key properties of N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide?

N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.24, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-5-(5-amino-6-methoxy-3-pyridinyl)-2-methanimidoylphenyl]-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143903814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).