N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine

C15H21N3S — CID 62419468

IUPACN-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1csc(CNC)n1
InChIInChI=1S/C15H21N3S/c1-3-18(10-13-7-5-4-6-8-13)11-14-12-19-15(17-14)9-16-2/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyLEUZIIYKSPLOOG-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.88
Rot. Bonds7

About N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine

N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 62419468) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID62419468
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1csc(CNC)n1
InChIInChI=1S/C15H21N3S/c1-3-18(10-13-7-5-4-6-8-13)11-14-12-19-15(17-14)9-16-2/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyLEUZIIYKSPLOOG-UHFFFAOYSA-N
XLogP2.88
TPSA28.16 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62430946
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
N-benzyl-3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylpropan-1-amine
CID 43320380
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 62419468) is N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCN(Cc1ccccc1)Cc1csc(CNC)n1.
What is the InChIKey of N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is LEUZIIYKSPLOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18(10-13-7-5-4-6-8-13)11-14-12-19-15(17-14)9-16-2/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).