1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine

C10H18N2OS — CID 106815131

IUPAC1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOCCc1ncc(C(C)NC)s1
InChIInChI=1S/C10H18N2OS/c1-4-13-6-5-10-12-7-9(14-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyIVLNLNMJKNWTLP-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.00
Rot. Bonds6

About 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 106815131) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID106815131
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOCCc1ncc(C(C)NC)s1
InChIInChI=1S/C10H18N2OS/c1-4-13-6-5-10-12-7-9(14-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyIVLNLNMJKNWTLP-UHFFFAOYSA-N
XLogP2.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 58629032
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377679
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377680
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377683
(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377924
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62652275
N-[1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653562
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964584
N-methyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 106815131) is 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine is CCOCCc1ncc(C(C)NC)s1.
What is the InChIKey of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is IVLNLNMJKNWTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-13-6-5-10-12-7-9(14-10)8(2)11-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 214.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 106815131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).