N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide

C₁₅H₁₇ClN₂O₂S — CID 43248142

About N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide

N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide (PubChem CID 43248142) has the molecular formula C₁₅H₁₇ClN₂O₂S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide.

Molecular Properties

• Compound Name: N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
• PubChem CID: 43248142
• Molecular Formula: C₁₅H₁₇ClN₂O₂S
• Molecular Weight: 324.83 g/mol
• Exact Mass: 324.07
• IUPAC Name: N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide
• SMILES: CCCOCC(=O)Nc1ccc(-c2nc(CCl)cs2)cc1
• InChI: InChI=1S/C15H17ClN2O2S/c1-2-7-20-9-14(19)17-12-5-3-11(4-6-12)15-18-13(8-16)10-21-15/h3-6,10H,2,7-9H2,1H3,(H,17,19)
• InChIKey: ZUFMJSLFDGOHGC-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.83
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?

The IUPAC name of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide (CID 43248142) is N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide.

What is the SMILES notation for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?

The canonical SMILES for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(-c2nc(CCl)cs2)cc1.

What is the InChIKey of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?

The InChIKey is ZUFMJSLFDGOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-7-20-9-14(19)17-12-5-3-11(4-6-12)15-18-13(8-16)10-21-15/h3-6,10H,2,7-9H2,1H3,(H,17,19).

What are the key properties of N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide?

N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide has a molecular weight of 324.83 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]-2-propoxyacetamide is sourced from PubChem (CID 43248142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43248142 — identifiers, structure, computed properties (public domain)

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