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

C14H19F3N2S — CID 106783649

IUPACN-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2
InChIInChI=1S/C14H19F3N2S/c1-2-18-12(10-6-8-3-4-9(10)5-8)11-7-19-13(20-11)14(15,16)17/h7-10,12,18H,2-6H2,1H3
InChIKeyYKCMNZXWXNEMRQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.25
Rot. Bonds4

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

N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783649) has the molecular formula C14H19F3N2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783649
Molecular FormulaC14H19F3N2S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2
InChIInChI=1S/C14H19F3N2S/c1-2-18-12(10-6-8-3-4-9(10)5-8)11-7-19-13(20-11)14(15,16)17/h7-10,12,18H,2-6H2,1H3
InChIKeyYKCMNZXWXNEMRQ-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783649) is N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YKCMNZXWXNEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2S/c1-2-18-12(10-6-8-3-4-9(10)5-8)11-7-19-13(20-11)14(15,16)17/h7-10,12,18H,2-6H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 304.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).