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

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

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Related Compounds

N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 123345785
[4-(Trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 166045519
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434502
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434628
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730469
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730751
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747490
N-(1,3-thiazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 61171215
N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 61171406
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64366302
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64366303

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).