N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H18F3N3S — CID 66390571

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1csc(CCN)n1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3S/c1-8(2)17(7-11(12,13)14)5-9-6-18-10(16-9)3-4-15/h6,8H,3-5,7,15H2,1-2H3
InChIKeyBPNKFPWHZLGRKF-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.42
Rot. Bonds6

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 66390571) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID66390571
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(Cc1csc(CCN)n1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3S/c1-8(2)17(7-11(12,13)14)5-9-6-18-10(16-9)3-4-15/h6,8H,3-5,7,15H2,1-2H3
InChIKeyBPNKFPWHZLGRKF-UHFFFAOYSA-N
XLogP2.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008625
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66387083
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
2-[(2-propyl-1,3-thiazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 113339721
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62420119
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114159739
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386282

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 66390571) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(Cc1csc(CCN)n1)CC(F)(F)F.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is BPNKFPWHZLGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-8(2)17(7-11(12,13)14)5-9-6-18-10(16-9)3-4-15/h6,8H,3-5,7,15H2,1-2H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 281.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 66390571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).