2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide

C12H21N3O2S — CID 54956058

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-8(12-9(2)15-10(3)18-12)14-7-11(16)13-5-6-17-4/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyHUVNZEDIELJSCY-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.17
Rot. Bonds7

About 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 54956058) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide
PubChem CID54956058
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C12H21N3O2S/c1-8(12-9(2)15-10(3)18-12)14-7-11(16)13-5-6-17-4/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyHUVNZEDIELJSCY-UHFFFAOYSA-N
XLogP1.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide (CID 54956058) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC(C)c1sc(C)nc1C.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is HUVNZEDIELJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(12-9(2)15-10(3)18-12)14-7-11(16)13-5-6-17-4/h8,14H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54956058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).