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

C11H19N3OS — CID 43566850

IUPAC2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C11H19N3OS/c1-5-12-10(15)6-13-7(2)11-8(3)16-9(4)14-11/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyJBPITXRNORTNKW-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.55
Rot. Bonds5

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

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide (PubChem CID 43566850) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide
PubChem CID43566850
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C11H19N3OS/c1-5-12-10(15)6-13-7(2)11-8(3)16-9(4)14-11/h7,13H,5-6H2,1-4H3,(H,12,15)
InChIKeyJBPITXRNORTNKW-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide (CID 43566850) is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide is CCNC(=O)CNC(C)c1nc(C)sc1C.
What is the InChIKey of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide?
The InChIKey is JBPITXRNORTNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-12-10(15)6-13-7(2)11-8(3)16-9(4)14-11/h7,13H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide?
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide has a molecular weight of 241.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-ethylacetamide is sourced from PubChem (CID 43566850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).