[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C11H14N2O3S — CID 55327942

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESC=CCNC(=O)COC(=O)Cc1csc(C)n1
InChIInChI=1S/C11H14N2O3S/c1-3-4-12-10(14)6-16-11(15)5-9-7-17-8(2)13-9/h3,7H,1,4-6H2,2H3,(H,12,14)
InChIKeyOSXYTQPQYMSDSY-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.84
Rot. Bonds6

About [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55327942) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID55327942
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESC=CCNC(=O)COC(=O)Cc1csc(C)n1
InChIInChI=1S/C11H14N2O3S/c1-3-4-12-10(14)6-16-11(15)5-9-7-17-8(2)13-9/h3,7H,1,4-6H2,2H3,(H,12,14)
InChIKeyOSXYTQPQYMSDSY-UHFFFAOYSA-N
XLogP0.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)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

[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42981523
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 29433637
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 43032895
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110374660
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 3567837
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328075
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55327942) is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is C=CCNC(=O)COC(=O)Cc1csc(C)n1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is OSXYTQPQYMSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-4-12-10(14)6-16-11(15)5-9-7-17-8(2)13-9/h3,7H,1,4-6H2,2H3,(H,12,14).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 254.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55327942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).