ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate

C7H10N2O3S — CID 3412784

IUPACethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-6(11)5(10)9-7-8-3-4-13-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyXCHWKJCGIUMMJZ-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.23
Rot. Bonds1

About ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate

ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate (PubChem CID 3412784) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate
PubChem CID3412784
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Nameethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C7H10N2O3S/c1-2-12-6(11)5(10)9-7-8-3-4-13-7/h2-4H2,1H3,(H,8,9,10)
InChIKeyXCHWKJCGIUMMJZ-UHFFFAOYSA-N
XLogP-0.23
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate (CID 3412784) is ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate is CCOC(=O)C(=O)NC1=NCCS1.
What is the InChIKey of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate?
The InChIKey is XCHWKJCGIUMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-2-12-6(11)5(10)9-7-8-3-4-13-7/h2-4H2,1H3,(H,8,9,10).
What are the key properties of ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate?
ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate has a molecular weight of 202.23 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoacetate is sourced from PubChem (CID 3412784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).