4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride

C12H15ClF6N2S — CID 171482120

IUPAC4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCl.FC(F)(F)c1nc(CNC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-1-3-8(4-2-7)19-5-9-6-21-10(20-9)12(16,17)18;/h6-8,19H,1-5H2;1H
InChIKeyKJNZQHAOVHFUPC-UHFFFAOYSA-N
MW368.77 g/mol
LogP4.79
Rot. Bonds3

About 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride

4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 171482120) has the molecular formula C12H15ClF6N2S and a molecular weight of 368.77 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride
PubChem CID171482120
Molecular FormulaC12H15ClF6N2S
Molecular Weight368.77 g/mol
Exact Mass368.05
IUPAC Name4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCl.FC(F)(F)c1nc(CNC2CCC(C(F)(F)F)CC2)cs1
InChIInChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-1-3-8(4-2-7)19-5-9-6-21-10(20-9)12(16,17)18;/h6-8,19H,1-5H2;1H
InChIKeyKJNZQHAOVHFUPC-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride (CID 171482120) is 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride is Cl.FC(F)(F)c1nc(CNC2CCC(C(F)(F)F)CC2)cs1.
What is the InChIKey of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is KJNZQHAOVHFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2S.ClH/c13-11(14,15)7-1-3-8(4-2-7)19-5-9-6-21-10(20-9)12(16,17)18;/h6-8,19H,1-5H2;1H.
What are the key properties of 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride?
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 368.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 171482120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).