4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine

C12H17F3N2S — CID 61338656

IUPAC4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H17F3N2S/c1-2-8-3-5-11(16,6-4-8)10-17-9(7-18-10)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyDABBMVVWQSVYNG-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.92
Rot. Bonds2

About 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine

4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (PubChem CID 61338656) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
PubChem CID61338656
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C12H17F3N2S/c1-2-8-3-5-11(16,6-4-8)10-17-9(7-18-10)12(13,14)15/h7-8H,2-6,16H2,1H3
InChIKeyDABBMVVWQSVYNG-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine (CID 61338656) is 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is CCC1CCC(N)(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
The InChIKey is DABBMVVWQSVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-2-8-3-5-11(16,6-4-8)10-17-9(7-18-10)12(13,14)15/h7-8H,2-6,16H2,1H3.
What are the key properties of 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine?
4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 61338656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).