N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C18H25ClF3N5S — CID 120845311

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(Cc1cnc(C(F)(F)F)s1)C1CC12CCNCC2.Cl
InChIInChI=1S/C18H24F3N5S.ClH/c1-2-25-8-7-23-15(25)12-26(14-9-17(14)3-5-22-6-4-17)11-13-10-24-16(27-13)18(19,20)21;/h7-8,10,14,22H,2-6,9,11-12H2,1H3;1H
InChIKeyGOWXXCWMOLXYRK-UHFFFAOYSA-N
MW435.95 g/mol
LogP3.94
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845311) has the molecular formula C18H25ClF3N5S and a molecular weight of 435.95 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID120845311
Molecular FormulaC18H25ClF3N5S
Molecular Weight435.95 g/mol
Exact Mass435.15
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCCn1ccnc1CN(Cc1cnc(C(F)(F)F)s1)C1CC12CCNCC2.Cl
InChIInChI=1S/C18H24F3N5S.ClH/c1-2-25-8-7-23-15(25)12-26(14-9-17(14)3-5-22-6-4-17)11-13-10-24-16(27-13)18(19,20)21;/h7-8,10,14,22H,2-6,9,11-12H2,1H3;1H
InChIKeyGOWXXCWMOLXYRK-UHFFFAOYSA-N
XLogP3.94
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845399
N-[(1-ethylimidazol-2-yl)methyl]-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845313
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(oxolan-3-yl)ethyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845295
N-[(1-ethylimidazol-2-yl)methyl]-N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 128995326
N-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-fluorophenyl)propyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
CID 120845305
(2S)-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octan-2-amine
CID 129352549
N-[2-(2,2-difluoroethoxy)ethyl]-N-[(1-ethylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120967087
3-[[(2R)-6-azaspiro[2.5]octan-2-yl]-[(1-ethylimidazol-2-yl)methyl]amino]-N-methylpropane-1-sulfonamide
CID 129324449
N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845310
N-[(1-ethylimidazol-2-yl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 167822778
N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120835564

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845311) is N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is CCn1ccnc1CN(Cc1cnc(C(F)(F)F)s1)C1CC12CCNCC2.Cl.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is GOWXXCWMOLXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5S.ClH/c1-2-25-8-7-23-15(25)12-26(14-9-17(14)3-5-22-6-4-17)11-13-10-24-16(27-13)18(19,20)21;/h7-8,10,14,22H,2-6,9,11-12H2,1H3;1H.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 435.95 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).