N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline

C₁₇H₁₅FN₂S — CID 43407810

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline (PubChem CID 43407810) has the molecular formula C₁₇H₁₅FN₂S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline.

Molecular Properties

• Compound Name: N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
• PubChem CID: 43407810
• Molecular Formula: C₁₇H₁₅FN₂S
• Molecular Weight: 298.39 g/mol
• Exact Mass: 298.09
• IUPAC Name: N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
• SMILES: Cc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1
• InChI: InChI=1S/C17H15FN2S/c1-12-3-2-4-15(9-12)19-10-16-11-21-17(20-16)13-5-7-14(18)8-6-13/h2-9,11,19H,10H2,1H3
• InChIKey: SNEOPGDDBBCUJW-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.39
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?

The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline (CID 43407810) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline.

What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?

The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline is Cc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1.

What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?

The InChIKey is SNEOPGDDBBCUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-12-3-2-4-15(9-12)19-10-16-11-21-17(20-16)13-5-7-14(18)8-6-13/h2-9,11,19H,10H2,1H3.

What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline?

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline has a molecular weight of 298.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline is sourced from PubChem (CID 43407810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43407810 — identifiers, structure, computed properties (public domain)

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