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

C13H17F3N2S — CID 106783648

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2
InChIInChI=1S/C13H17F3N2S/c1-17-11(9-5-7-2-3-8(9)4-7)10-6-18-12(19-10)13(14,15)16/h6-9,11,17H,2-5H2,1H3
InChIKeyICQIEPJWCZNLBA-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.86
Rot. Bonds3

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

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783648) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783648
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2
InChIInChI=1S/C13H17F3N2S/c1-17-11(9-5-7-2-3-8(9)4-7)10-6-18-12(19-10)13(14,15)16/h6-9,11,17H,2-5H2,1H3
InChIKeyICQIEPJWCZNLBA-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105177928
N-ethyl-2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105177931
N-[2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105177933
N-ethyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105177962
N-[1-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105178008
N-methyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178022
N-[2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105178037
2-(1,3-Thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178048
N-ethyl-2-(1,3-thiazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178076
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178109
N-methyl-2-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105178110
N-[2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105178126

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783648) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ICQIEPJWCZNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c1-17-11(9-5-7-2-3-8(9)4-7)10-6-18-12(19-10)13(14,15)16/h6-9,11,17H,2-5H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).