N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

C12H21N3OS — CID 62431015

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1csc(CN)n1)CC1CCCCO1
InChIInChI=1S/C12H21N3OS/c1-15(8-11-4-2-3-5-16-11)7-10-9-17-12(6-13)14-10/h9,11H,2-8,13H2,1H3
InChIKeyFYOJUKZLWFCUJH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.60
Rot. Bonds5

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 62431015) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID62431015
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1csc(CN)n1)CC1CCCCO1
InChIInChI=1S/C12H21N3OS/c1-15(8-11-4-2-3-5-16-11)7-10-9-17-12(6-13)14-10/h9,11H,2-8,13H2,1H3
InChIKeyFYOJUKZLWFCUJH-UHFFFAOYSA-N
XLogP1.60
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389415
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443830
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
N-[[6-[[methyl(oxan-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906089
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386282
N-[(6-chloroquinolin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 77080814
2-(aminomethyl)-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119805648
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61436341

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 62431015) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1csc(CN)n1)CC1CCCCO1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is FYOJUKZLWFCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15(8-11-4-2-3-5-16-11)7-10-9-17-12(6-13)14-10/h9,11H,2-8,13H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62431015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).