N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

C12H17F3N2S — CID 106784155

IUPACN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-2-16-9-5-3-4-8(6-9)10-7-17-11(18-10)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyYOWLIXAASOWMLL-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.80
Rot. Bonds3

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

N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 106784155) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID106784155
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCC(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C12H17F3N2S/c1-2-16-9-5-3-4-8(6-9)10-7-17-11(18-10)12(13,14)15/h7-9,16H,2-6H2,1H3
InChIKeyYOWLIXAASOWMLL-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 106784155) is N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CCNC1CCCC(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is YOWLIXAASOWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-2-16-9-5-3-4-8(6-9)10-7-17-11(18-10)12(13,14)15/h7-9,16H,2-6H2,1H3.
What are the key properties of N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 106784155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).