N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide

C30H31FN4O2S — CID 20815487

About N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide

N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide (PubChem CID 20815487) has the molecular formula C30H31FN4O2S and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide
• PubChem CID: 20815487
• Molecular Formula: C30H31FN4O2S
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.22
• IUPAC Name: N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)NCCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1
• InChI: InChI=1S/C30H31FN4O2S/c31-25-9-11-26(12-10-25)33-30-35(16-4-15-32-29(36)21-23-5-2-1-3-6-23)28(22-38-30)24-7-13-27(14-8-24)34-17-19-37-20-18-34/h1-3,5-14,22H,4,15-21H2,(H,32,36)/b33-30-
• InChIKey: CSKHWGWQVMNONU-MEIHLTSWSA-N
• XLogP: 5.17
• TPSA: 58.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide?

The IUPAC name of N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide (CID 20815487) is N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide.

What is the SMILES notation for N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide?

The canonical SMILES for N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCCn1c(-c2ccc(N3CCOCC3)cc2)cs/c1=N\c1ccc(F)cc1.

What is the InChIKey of N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide?

The InChIKey is CSKHWGWQVMNONU-MEIHLTSWSA-N. The full InChI is InChI=1S/C30H31FN4O2S/c31-25-9-11-26(12-10-25)33-30-35(16-4-15-32-29(36)21-23-5-2-1-3-6-23)28(22-38-30)24-7-13-27(14-8-24)34-17-19-37-20-18-34/h1-3,5-14,22H,4,15-21H2,(H,32,36)/b33-30-.

What are the key properties of N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide?

N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide has a molecular weight of 530.67 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide is sourced from PubChem (CID 20815487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).