2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C10H13F3N2OS — CID 106782984

IUPAC2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h5-7H,1-4,14H2
InChIKeyOXUAKJIOAXBXTJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.73
Rot. Bonds3

About 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106782984) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106782984
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h5-7H,1-4,14H2
InChIKeyOXUAKJIOAXBXTJ-UHFFFAOYSA-N
XLogP2.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106782984) is 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(CC1CCCO1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OXUAKJIOAXBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-5-8(17-9)7(14)4-6-2-1-3-16-6/h5-7H,1-4,14H2.
What are the key properties of 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 266.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106782984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).