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

C10H16F3N3S — CID 66387083

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1csc(CCN)n1
InChIInChI=1S/C10H16F3N3S/c1-16(5-3-10(11,12)13)6-8-7-17-9(15-8)2-4-14/h7H,2-6,14H2,1H3
InChIKeyCZPHZKJEDQCMKO-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.03
Rot. Bonds6

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

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 66387083) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID66387083
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1csc(CCN)n1
InChIInChI=1S/C10H16F3N3S/c1-16(5-3-10(11,12)13)6-8-7-17-9(15-8)2-4-14/h7H,2-6,14H2,1H3
InChIKeyCZPHZKJEDQCMKO-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 66390571
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386282
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 66390375
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
CID 66386087
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 66387083) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1csc(CCN)n1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is CZPHZKJEDQCMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-16(5-3-10(11,12)13)6-8-7-17-9(15-8)2-4-14/h7H,2-6,14H2,1H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 2.03, 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]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 66387083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).