2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen

C26H26N4O3S — CID 143452733

About 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen

2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen (PubChem CID 143452733) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen
• PubChem CID: 143452733
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen
• SMILES: CN(CCc1csc(Nc2ncccc2OCc2ccccc2)n1)C(=O)c1ccccc1C=O.[H][H]
• InChI: InChI=1S/C26H24N4O3S.H2/c1-30(25(32)22-11-6-5-10-20(22)16-31)15-13-21-18-34-26(28-21)29-24-23(12-7-14-27-24)33-17-19-8-3-2-4-9-19;/h2-12,14,16,18H,13,15,17H2,1H3,(H,27,28,29);1H
• InChIKey: ABDHOOJOXDZKNG-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen?

The IUPAC name of 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen (CID 143452733) is 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen.

What is the SMILES notation for 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen?

The canonical SMILES for 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen is CN(CCc1csc(Nc2ncccc2OCc2ccccc2)n1)C(=O)c1ccccc1C=O.[H][H].

What is the InChIKey of 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen?

The InChIKey is ABDHOOJOXDZKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S.H2/c1-30(25(32)22-11-6-5-10-20(22)16-31)15-13-21-18-34-26(28-21)29-24-23(12-7-14-27-24)33-17-19-8-3-2-4-9-19;/h2-12,14,16,18H,13,15,17H2,1H3,(H,27,28,29);1H.

What are the key properties of 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen?

2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen has a molecular weight of 474.59 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-formyl-N-methyl-N-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]benzamide;molecular hydrogen is sourced from PubChem (CID 143452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).