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

C13H17F3N2S — CID 106785964

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)12-18-6-11(19-12)10(17)5-9-4-7-1-2-8(9)3-7/h6-10H,1-5,17H2
InChIKeyWAPQEOUJPBCDMJ-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.99
Rot. Bonds3

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

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106785964) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106785964
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)12-18-6-11(19-12)10(17)5-9-4-7-1-2-8(9)3-7/h6-10H,1-5,17H2
InChIKeyWAPQEOUJPBCDMJ-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.99
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)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106785964) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is NC(CC1CC2CCC1C2)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WAPQEOUJPBCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)12-18-6-11(19-12)10(17)5-9-4-7-1-2-8(9)3-7/h6-10H,1-5,17H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.35 g/mol, XLogP of 3.99, 3 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)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106785964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).