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

C11H18N2O2S — CID 43139664

IUPACmethyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-7(12-6-5-10(14)15-4)11-8(2)16-9(3)13-11/h7,12H,5-6H2,1-4H3
InChIKeyRJVDJHRCJXEINS-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.97
Rot. Bonds5

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

methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate (PubChem CID 43139664) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
PubChem CID43139664
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-7(12-6-5-10(14)15-4)11-8(2)16-9(3)13-11/h7,12H,5-6H2,1-4H3
InChIKeyRJVDJHRCJXEINS-UHFFFAOYSA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 112551263
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
CID 43567206
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
[1-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 113293581
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79547946
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205593

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate (CID 43139664) is methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate is COC(=O)CCNC(C)c1nc(C)sc1C.
What is the InChIKey of methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
The InChIKey is RJVDJHRCJXEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(12-6-5-10(14)15-4)11-8(2)16-9(3)13-11/h7,12H,5-6H2,1-4H3.
What are the key properties of methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate?
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate has a molecular weight of 242.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate is sourced from PubChem (CID 43139664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).