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

C22H19N3O3S2 — CID 55577038

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

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55577038) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• PubChem CID: 55577038
• Molecular Formula: C22H19N3O3S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.09
• IUPAC Name: 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
• SMILES: COc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1OCc1cscn1
• InChI: InChI=1S/C22H19N3O3S2/c1-14-24-19(12-30-14)15-3-6-17(7-4-15)25-22(26)16-5-8-20(21(9-16)27-2)28-10-18-11-29-13-23-18/h3-9,11-13H,10H2,1-2H3,(H,25,26)
• InChIKey: KRBXULYCHFUGOG-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55577038) is 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

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

The canonical SMILES for 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)ccc1OCc1cscn1.

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

The InChIKey is KRBXULYCHFUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-14-24-19(12-30-14)15-3-6-17(7-4-15)25-22(26)16-5-8-20(21(9-16)27-2)28-10-18-11-29-13-23-18/h3-9,11-13H,10H2,1-2H3,(H,25,26).

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

3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 437.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55577038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).