4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine

C12H22N2O2S — CID 115879211

IUPAC4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
SMILESCOCCOCCCCNC(C)c1cscn1
InChIInChI=1S/C12H22N2O2S/c1-11(12-9-17-10-14-12)13-5-3-4-6-16-8-7-15-2/h9-11,13H,3-8H2,1-2H3
InChIKeySVDSPWRCVOSPKB-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.24
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine

4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine (PubChem CID 115879211) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
PubChem CID115879211
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
SMILESCOCCOCCCCNC(C)c1cscn1
InChIInChI=1S/C12H22N2O2S/c1-11(12-9-17-10-14-12)13-5-3-4-6-16-8-7-15-2/h9-11,13H,3-8H2,1-2H3
InChIKeySVDSPWRCVOSPKB-UHFFFAOYSA-N
XLogP2.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.24
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-methoxyethyl)-3-[1-(1,3-thiazol-4-yl)ethylamino]propanamide
CID 115879102
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
3-(2-methoxyethoxy)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 28720883
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113260923
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine (CID 115879211) is 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine is COCCOCCCCNC(C)c1cscn1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine?
The InChIKey is SVDSPWRCVOSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-11(12-9-17-10-14-12)13-5-3-4-6-16-8-7-15-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine?
4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 115879211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).