4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine

C10H18N2O2S — CID 102927931

IUPAC4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCOCCOCCC(N)Cc1cncs1
InChIInChI=1S/C10H18N2O2S/c1-13-4-5-14-3-2-9(11)6-10-7-12-8-15-10/h7-9H,2-6,11H2,1H3
InChIKeyPEPVTQMYHIZIRL-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.07
Rot. Bonds8

About 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine

4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 102927931) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID102927931
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCOCCOCCC(N)Cc1cncs1
InChIInChI=1S/C10H18N2O2S/c1-13-4-5-14-3-2-9(11)6-10-7-12-8-15-10/h7-9H,2-6,11H2,1H3
InChIKeyPEPVTQMYHIZIRL-UHFFFAOYSA-N
XLogP1.07
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.07
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

1-(1,3-thiazol-5-yl)heptan-2-amine
CID 105030705
4-(2-methoxyethoxy)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 102927833
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
3-amino-6-methoxy-1-(1,3-thiazol-5-yl)hexan-2-one
CID 116593776
2-amino-3-(1,3-thiazol-5-yl)propan-1-ol;hydrochloride
CID 22747843
[1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151746
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030739
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine (CID 102927931) is 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine is COCCOCCC(N)Cc1cncs1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is PEPVTQMYHIZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-13-4-5-14-3-2-9(11)6-10-7-12-8-15-10/h7-9H,2-6,11H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine?
4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 230.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 102927931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).