3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide

C23H19N3O3S — CID 43072092

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide (PubChem CID 43072092) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
• PubChem CID: 43072092
• Molecular Formula: C23H19N3O3S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.11
• IUPAC Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)cs1
• InChI: InChI=1S/C23H19N3O3S/c1-16-25-18(15-30-16)14-28-20-10-5-7-17(13-20)22(27)26-21-11-6-12-24-23(21)29-19-8-3-2-4-9-19/h2-13,15H,14H2,1H3,(H,26,27)
• InChIKey: MZYYIGWPXMYXHN-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide?

The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide (CID 43072092) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide.

What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide?

The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide is Cc1nc(COc2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)cs1.

What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide?

The InChIKey is MZYYIGWPXMYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-16-25-18(15-30-16)14-28-20-10-5-7-17(13-20)22(27)26-21-11-6-12-24-23(21)29-19-8-3-2-4-9-19/h2-13,15H,14H2,1H3,(H,26,27).

What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide?

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide has a molecular weight of 417.49 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 43072092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).