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

C12H17F3N2OS — CID 106783033

IUPACN-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2OS/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyMDGVLOADHJZKJO-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.38
Rot. Bonds5

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

N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783033) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783033
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC NameN-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2OS/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyMDGVLOADHJZKJO-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783033) is N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(CC1CCCO1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MDGVLOADHJZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-2-16-9(6-8-4-3-5-18-8)10-7-17-11(19-10)12(13,14)15/h7-9,16H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 294.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).