methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate

C10H16N2O2S — CID 43200800

IUPACmethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O2S/c1-6(11-5-9(13)14-4)10-7(2)15-8(3)12-10/h6,11H,5H2,1-4H3
InChIKeyFEQCIARIZJQMPG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.58
Rot. Bonds4

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

methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate (PubChem CID 43200800) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate
PubChem CID43200800
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O2S/c1-6(11-5-9(13)14-4)10-7(2)15-8(3)12-10/h6,11H,5H2,1-4H3
InChIKeyFEQCIARIZJQMPG-UHFFFAOYSA-N
XLogP1.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate (CID 43200800) is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate is COC(=O)CNC(C)c1nc(C)sc1C.
What is the InChIKey of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate?
The InChIKey is FEQCIARIZJQMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(11-5-9(13)14-4)10-7(2)15-8(3)12-10/h6,11H,5H2,1-4H3.
What are the key properties of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate?
methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate has a molecular weight of 228.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetate is sourced from PubChem (CID 43200800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).