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

C13H23N3OS — CID 62430173

IUPACN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1csc(CNC)n1)CC1CCCO1
InChIInChI=1S/C13H23N3OS/c1-3-16(9-12-5-4-6-17-12)8-11-10-18-13(15-11)7-14-2/h10,12,14H,3-9H2,1-2H3
InChIKeyHWUAUIBWNDMUPO-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds7

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

N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62430173) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62430173
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCN(Cc1csc(CNC)n1)CC1CCCO1
InChIInChI=1S/C13H23N3OS/c1-3-16(9-12-5-4-6-17-12)8-11-10-18-13(15-11)7-14-2/h10,12,14H,3-9H2,1-2H3
InChIKeyHWUAUIBWNDMUPO-UHFFFAOYSA-N
XLogP1.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62429825
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 124751200
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488
N-[4-[[bis[[(2S)-oxolan-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 51964063
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 107401935
N-[(5-methylpyrazin-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75423166
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107402089
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine (CID 62430173) is N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is CCN(Cc1csc(CNC)n1)CC1CCCO1.
What is the InChIKey of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is HWUAUIBWNDMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-16(9-12-5-4-6-17-12)8-11-10-18-13(15-11)7-14-2/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine?
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62430173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).