N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide

C₁₉H₁₈N₂OS — CID 102273912

About N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide

N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 102273912) has the molecular formula C₁₉H₁₈N₂OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
• PubChem CID: 102273912
• Molecular Formula: C₁₉H₁₈N₂OS
• Molecular Weight: 322.43 g/mol
• Exact Mass: 322.11
• IUPAC Name: N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
• SMILES: CCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
• InChI: InChI=1S/C19H18N2OS/c1-2-13-21-17(15-9-5-3-6-10-15)14-23-19(21)20-18(22)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3/b20-19-
• InChIKey: NLALTRHZLVKBCF-VXPUYCOJSA-N
• XLogP: 4.37
• TPSA: 34.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.43
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?

The IUPAC name of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide (CID 102273912) is N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide.

What is the SMILES notation for N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?

The canonical SMILES for N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide is CCCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1.

What is the InChIKey of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?

The InChIKey is NLALTRHZLVKBCF-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-13-21-17(15-9-5-3-6-10-15)14-23-19(21)20-18(22)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3/b20-19-.

What are the key properties of N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide?

N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 322.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 102273912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102273912 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.