2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C15H21F3N2S — CID 106786171

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H21F3N2S/c1-2-19-12(7-11-6-9-3-4-10(11)5-9)13-8-20-14(21-13)15(16,17)18/h8-12,19H,2-7H2,1H3
InChIKeyPZHBSXVDPQQQTE-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.64
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106786171) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106786171
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C15H21F3N2S/c1-2-19-12(7-11-6-9-3-4-10(11)5-9)13-8-20-14(21-13)15(16,17)18/h8-12,19H,2-7H2,1H3
InChIKeyPZHBSXVDPQQQTE-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106786171) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PZHBSXVDPQQQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-2-19-12(7-11-6-9-3-4-10(11)5-9)13-8-20-14(21-13)15(16,17)18/h8-12,19H,2-7H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 318.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106786171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).