1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol

C₁₃H₂₂N₂OS — CID 104692502

About 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 104692502) has the molecular formula C₁₃H₂₂N₂OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
• PubChem CID: 104692502
• Molecular Formula: C₁₃H₂₂N₂OS
• Molecular Weight: 254.40 g/mol
• Exact Mass: 254.15
• IUPAC Name: 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
• SMILES: CCC1CCCCCN1c1ncc(C(C)O)s1
• InChI: InChI=1S/C13H22N2OS/c1-3-11-7-5-4-6-8-15(11)13-14-9-12(17-13)10(2)16/h9-11,16H,3-8H2,1-2H3
• InChIKey: GIBGCQCDYUAXRJ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 36.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	254.40
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?

The IUPAC name of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol (CID 104692502) is 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol.

What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?

The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol is CCC1CCCCCN1c1ncc(C(C)O)s1.

What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?

The InChIKey is GIBGCQCDYUAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-7-5-4-6-8-15(11)13-14-9-12(17-13)10(2)16/h9-11,16H,3-8H2,1-2H3.

What are the key properties of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?

1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 104692502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104692502 — identifiers, structure, computed properties (public domain)

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