ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate

C11H16N2O2S — CID 78925765

IUPACethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1cscn1
InChIInChI=1S/C11H16N2O2S/c1-3-5-13(7-11(14)15-4-2)6-10-8-16-9-12-10/h3,8-9H,1,4-7H2,2H3
InChIKeyMRRXSRVNPPSVHL-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.69
Rot. Bonds7

About ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate

ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate (PubChem CID 78925765) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate
PubChem CID78925765
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)Cc1cscn1
InChIInChI=1S/C11H16N2O2S/c1-3-5-13(7-11(14)15-4-2)6-10-8-16-9-12-10/h3,8-9H,1,4-7H2,2H3
InChIKeyMRRXSRVNPPSVHL-UHFFFAOYSA-N
XLogP1.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
CID 78964769
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 115633439
methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 62012526
ethyl 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-prop-2-enylamino]acetate
CID 79047847
ethyl 2-[(1-ethylimidazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78990097
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78979130
ethyl 2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetate
CID 78977546
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684
ethyl 2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78942093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate (CID 78925765) is ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate is C=CCN(CC(=O)OCC)Cc1cscn1.
What is the InChIKey of ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate?
The InChIKey is MRRXSRVNPPSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-5-13(7-11(14)15-4-2)6-10-8-16-9-12-10/h3,8-9H,1,4-7H2,2H3.
What are the key properties of ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate?
ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate has a molecular weight of 240.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate is sourced from PubChem (CID 78925765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).