1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol

C₁₀H₁₅F₃N₂OS — CID 62752654

About 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62752654) has the molecular formula C₁₀H₁₅F₃N₂OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
• PubChem CID: 62752654
• Molecular Formula: C₁₀H₁₅F₃N₂OS
• Molecular Weight: 268.30 g/mol
• Exact Mass: 268.09
• IUPAC Name: 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol
• SMILES: CCCN(CC(F)(F)F)c1ncc(C(C)O)s1
• InChI: InChI=1S/C10H15F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-5-8(17-9)7(2)16/h5,7,16H,3-4,6H2,1-2H3
• InChIKey: LMWUPMFZJFPFPF-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 36.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.30
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62752654) is 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol.

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

The canonical SMILES for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is CCCN(CC(F)(F)F)c1ncc(C(C)O)s1.

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

The InChIKey is LMWUPMFZJFPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-5-8(17-9)7(2)16/h5,7,16H,3-4,6H2,1-2H3.

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

1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 268.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62752654 — identifiers, structure, computed properties (public domain)

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