1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine

C10H18N2OS — CID 46784800

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-7-9(3)14-10(12-7)8(2)11-5-6-13-4/h8,11H,5-6H2,1-4H3
InChIKeyDKQGTEJDPYXTOS-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.06
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 46784800) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID46784800
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-7-9(3)14-10(12-7)8(2)11-5-6-13-4/h8,11H,5-6H2,1-4H3
InChIKeyDKQGTEJDPYXTOS-UHFFFAOYSA-N
XLogP2.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine (CID 46784800) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is DKQGTEJDPYXTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7-9(3)14-10(12-7)8(2)11-5-6-13-4/h8,11H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 214.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 46784800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).