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

C23H21N3O4S2 — CID 46667842

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46667842) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 46667842
• Molecular Formula: C23H21N3O4S2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.10
• IUPAC Name: N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3cccc(OCc4csc(C)n4)c3)n2)c(OC)c1
• InChI: InChI=1S/C23H21N3O4S2/c1-14-24-16(12-31-14)11-30-18-6-4-5-15(9-18)22(27)26-23-25-20(13-32-23)19-8-7-17(28-2)10-21(19)29-3/h4-10,12-13H,11H2,1-3H3,(H,25,26,27)
• InChIKey: GGFZKKQXRVNACX-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46667842) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

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

The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is COc1ccc(-c2csc(NC(=O)c3cccc(OCc4csc(C)n4)c3)n2)c(OC)c1.

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

The InChIKey is GGFZKKQXRVNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-14-24-16(12-31-14)11-30-18-6-4-5-15(9-18)22(27)26-23-25-20(13-32-23)19-8-7-17(28-2)10-21(19)29-3/h4-10,12-13H,11H2,1-3H3,(H,25,26,27).

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 467.57 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46667842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).