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

C23H20N2O2S2 — CID 92519851

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

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 92519851) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
• PubChem CID: 92519851
• Molecular Formula: C23H20N2O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.10
• IUPAC Name: 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccs3)c2)cs1
• InChI: InChI=1S/C23H20N2O2S2/c1-16-24-19(15-29-16)14-27-20-10-5-9-18(13-20)23(26)25-22(21-11-6-12-28-21)17-7-3-2-4-8-17/h2-13,15,22H,14H2,1H3,(H,25,26)/t22-/m0/s1
• InChIKey: WMSWPWYFBNKCCK-QFIPXVFZSA-N
• XLogP: 5.61
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (CID 92519851) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

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

The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccs3)c2)cs1.

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

The InChIKey is WMSWPWYFBNKCCK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-16-24-19(15-29-16)14-27-20-10-5-9-18(13-20)23(26)25-22(21-11-6-12-28-21)17-7-3-2-4-8-17/h2-13,15,22H,14H2,1H3,(H,25,26)/t22-/m0/s1.

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

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 92519851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).