N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine

C₁₃H₂₂N₂OS — CID 124751200

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine (PubChem CID 124751200) has the molecular formula C₁₃H₂₂N₂OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
• PubChem CID: 124751200
• Molecular Formula: C₁₃H₂₂N₂OS
• Molecular Weight: 254.40 g/mol
• Exact Mass: 254.15
• IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
• SMILES: CCN(Cc1csc(C)n1)C[C@@H]1CCCCO1
• InChI: InChI=1S/C13H22N2OS/c1-3-15(8-12-10-17-11(2)14-12)9-13-6-4-5-7-16-13/h10,13H,3-9H2,1-2H3/t13-/m0/s1
• InChIKey: FZUSWGUTXSEFIY-ZDUSSCGKSA-N
• XLogP: 2.84
• TPSA: 25.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.40
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine (CID 124751200) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine.

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

The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine is CCN(Cc1csc(C)n1)C[C@@H]1CCCCO1.

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

The InChIKey is FZUSWGUTXSEFIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-15(8-12-10-17-11(2)14-12)9-13-6-4-5-7-16-13/h10,13H,3-9H2,1-2H3/t13-/m0/s1.

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine is sourced from PubChem (CID 124751200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 124751200 — identifiers, structure, computed properties (public domain)

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