ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate

C12H17N3O3S — CID 78977684

IUPACethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)Nc1nccs1)CC(=O)OCC
InChIInChI=1S/C12H17N3O3S/c1-3-6-15(9-11(17)18-4-2)8-10(16)14-12-13-5-7-19-12/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14,16)
InChIKeyOCHLFAMPUDAZRA-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.13
Rot. Bonds8

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

ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate (PubChem CID 78977684) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
PubChem CID78977684
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)Nc1nccs1)CC(=O)OCC
InChIInChI=1S/C12H17N3O3S/c1-3-6-15(9-11(17)18-4-2)8-10(16)14-12-13-5-7-19-12/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14,16)
InChIKeyOCHLFAMPUDAZRA-UHFFFAOYSA-N
XLogP1.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 47395347
ethyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977781
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
ethyl 2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetate
CID 78977546
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 4995894
ethyl 2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78977780
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate (CID 78977684) is ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate is C=CCN(CC(=O)Nc1nccs1)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate?
The InChIKey is OCHLFAMPUDAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-6-15(9-11(17)18-4-2)8-10(16)14-12-13-5-7-19-12/h3,5,7H,1,4,6,8-9H2,2H3,(H,13,14,16).
What are the key properties of ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate?
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate has a molecular weight of 283.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate is sourced from PubChem (CID 78977684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).