N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C24H23N3O2S2 — CID 60568835

About N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 60568835) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 60568835
• Molecular Formula: C24H23N3O2S2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.12
• IUPAC Name: N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)NC(C)c3sc(-c4ccccc4)nc3C)c2)cs1
• InChI: InChI=1S/C24H23N3O2S2/c1-15(22-16(2)26-24(31-22)18-8-5-4-6-9-18)25-23(28)19-10-7-11-21(12-19)29-13-20-14-30-17(3)27-20/h4-12,14-15H,13H2,1-3H3,(H,25,28)
• InChIKey: WOLPHYCTPPQWDN-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 60568835) is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)NC(C)c3sc(-c4ccccc4)nc3C)c2)cs1.

What is the InChIKey of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is WOLPHYCTPPQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-15(22-16(2)26-24(31-22)18-8-5-4-6-9-18)25-23(28)19-10-7-11-21(12-19)29-13-20-14-30-17(3)27-20/h4-12,14-15H,13H2,1-3H3,(H,25,28).

What are the key properties of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 449.60 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 60568835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).