2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine

C15H21N3S — CID 66386882

IUPAC2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCN(CCc1ccccc1)Cc1csc(CCN)n1
InChIInChI=1S/C15H21N3S/c1-18(10-8-13-5-3-2-4-6-13)11-14-12-19-15(17-14)7-9-16/h2-6,12H,7-11,16H2,1H3
InChIKeyCNYHZOCJKMVSAM-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.32
Rot. Bonds7

About 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine

2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66386882) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66386882
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCN(CCc1ccccc1)Cc1csc(CCN)n1
InChIInChI=1S/C15H21N3S/c1-18(10-8-13-5-3-2-4-6-13)11-14-12-19-15(17-14)7-9-16/h2-6,12H,7-11,16H2,1H3
InChIKeyCNYHZOCJKMVSAM-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
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
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 65486866
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
CID 66386087
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine (CID 66386882) is 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine is CN(CCc1ccccc1)Cc1csc(CCN)n1.
What is the InChIKey of 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is CNYHZOCJKMVSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-18(10-8-13-5-3-2-4-6-13)11-14-12-19-15(17-14)7-9-16/h2-6,12H,7-11,16H2,1H3.
What are the key properties of 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66386882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).