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

C12H22N2O2S — CID 102929666

IUPAC1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
SMILESCCCC(N)c1csc(CCOCCOC)n1
InChIInChI=1S/C12H22N2O2S/c1-3-4-10(13)11-9-17-12(14-11)5-6-16-8-7-15-2/h9-10H,3-8,13H2,1-2H3
InChIKeyBTXRNGCMLRCDOW-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.15
Rot. Bonds9

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

1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 102929666) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
PubChem CID102929666
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
SMILESCCCC(N)c1csc(CCOCCOC)n1
InChIInChI=1S/C12H22N2O2S/c1-3-4-10(13)11-9-17-12(14-11)5-6-16-8-7-15-2/h9-10H,3-8,13H2,1-2H3
InChIKeyBTXRNGCMLRCDOW-UHFFFAOYSA-N
XLogP2.15
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.15
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

3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 102929672
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]pentan-1-amine
CID 103151313
4-(dimethoxymethyl)-2-(2-methoxyethyl)-1,3-thiazole
CID 66056933
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929669
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 166314569
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-2-methylbutan-1-amine
CID 103151365
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 102929665
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 103150135
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 103151323
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
CID 102929160
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylpropan-1-amine
CID 106815876

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine (CID 102929666) is 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine is CCCC(N)c1csc(CCOCCOC)n1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is BTXRNGCMLRCDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-4-10(13)11-9-17-12(14-11)5-6-16-8-7-15-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine?
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 102929666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).