4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine

C11H20N2O2S — CID 115652225

IUPAC4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCOCCCCNCc1csc(COC)n1
InChIInChI=1S/C11H20N2O2S/c1-14-6-4-3-5-12-7-10-9-16-11(13-10)8-15-2/h9,12H,3-8H2,1-2H3
InChIKeyYQTPNEDXJJECEG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.81
Rot. Bonds9

About 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine

4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine (PubChem CID 115652225) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
PubChem CID115652225
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCOCCCCNCc1csc(COC)n1
InChIInChI=1S/C11H20N2O2S/c1-14-6-4-3-5-12-7-10-9-16-11(13-10)8-15-2/h9,12H,3-8H2,1-2H3
InChIKeyYQTPNEDXJJECEG-UHFFFAOYSA-N
XLogP1.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 115654243
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylbutan-1-amine
CID 115653163
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
CID 115671392
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 115656786
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 24714242
5-methoxy-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 103631875
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
CID 115671468
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine (CID 115652225) is 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine is COCCCCNCc1csc(COC)n1.
What is the InChIKey of 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The InChIKey is YQTPNEDXJJECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-14-6-4-3-5-12-7-10-9-16-11(13-10)8-15-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 115652225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).