N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

C23H23N3O2S — CID 60615429

About N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide

N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (PubChem CID 60615429) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
• PubChem CID: 60615429
• Molecular Formula: C23H23N3O2S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.15
• IUPAC Name: N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
• SMILES: Cc1ccc(OCc2nc(CC(=O)N(c3cccc(C#N)c3)C(C)C)cs2)cc1
• InChI: InChI=1S/C23H23N3O2S/c1-16(2)26(20-6-4-5-18(11-20)13-24)23(27)12-19-15-29-22(25-19)14-28-21-9-7-17(3)8-10-21/h4-11,15-16H,12,14H2,1-3H3
• InChIKey: VNHBJVOUJWTEQP-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 66.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The IUPAC name of N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide (CID 60615429) is N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The canonical SMILES for N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is Cc1ccc(OCc2nc(CC(=O)N(c3cccc(C#N)c3)C(C)C)cs2)cc1.

What is the InChIKey of N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

The InChIKey is VNHBJVOUJWTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16(2)26(20-6-4-5-18(11-20)13-24)23(27)12-19-15-29-22(25-19)14-28-21-9-7-17(3)8-10-21/h4-11,15-16H,12,14H2,1-3H3.

What are the key properties of N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide?

N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide has a molecular weight of 405.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 60615429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).