N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine

C12H23N3OS — CID 81068191

IUPACN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
SMILESCNCc1nc(CN(C)CCOC(C)C)cs1
InChIInChI=1S/C12H23N3OS/c1-10(2)16-6-5-15(4)8-11-9-17-12(14-11)7-13-3/h9-10,13H,5-8H2,1-4H3
InChIKeyRANJOXCZGKUBKY-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.72
Rot. Bonds8

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

N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine (PubChem CID 81068191) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
PubChem CID81068191
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine
SMILESCNCc1nc(CN(C)CCOC(C)C)cs1
InChIInChI=1S/C12H23N3OS/c1-10(2)16-6-5-15(4)8-11-9-17-12(14-11)7-13-3/h9-10,13H,5-8H2,1-4H3
InChIKeyRANJOXCZGKUBKY-UHFFFAOYSA-N
XLogP1.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 81067747
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62420119
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665890
N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
CID 62458579
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine (CID 81068191) is N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine is CNCc1nc(CN(C)CCOC(C)C)cs1.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine?
The InChIKey is RANJOXCZGKUBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10(2)16-6-5-15(4)8-11-9-17-12(14-11)7-13-3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine?
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine has a molecular weight of 257.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 81068191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).