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

C12H20N2O2S — CID 43725803

IUPACmethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C12H20N2O2S/c1-7(10-8(2)17-9(3)13-10)14-12(4,5)11(15)16-6/h7,14H,1-6H3
InChIKeyPKTVJJOFJCTBMW-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.36
Rot. Bonds4

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

methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate (PubChem CID 43725803) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate
PubChem CID43725803
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1nc(C)sc1C
InChIInChI=1S/C12H20N2O2S/c1-7(10-8(2)17-9(3)13-10)14-12(4,5)11(15)16-6/h7,14H,1-6H3
InChIKeyPKTVJJOFJCTBMW-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.36
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]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate (CID 43725803) is methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1nc(C)sc1C.
What is the InChIKey of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate?
The InChIKey is PKTVJJOFJCTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-7(10-8(2)17-9(3)13-10)14-12(4,5)11(15)16-6/h7,14H,1-6H3.
What are the key properties of methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-methylpropanoate has a molecular weight of 256.37 g/mol, XLogP of 2.36, 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]-2-methylpropanoate is sourced from PubChem (CID 43725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).