ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate

C12H16N2O3S — CID 110461553

IUPACethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)11(15)13-7-6-10-14-8-4-3-5-9(8)18-10/h2-7H2,1H3,(H,13,15)
InChIKeyJLDJESLCGBGAHF-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.85
Rot. Bonds4

About ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate

ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate (PubChem CID 110461553) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate
PubChem CID110461553
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nameethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N2O3S/c1-2-17-12(16)11(15)13-7-6-10-14-8-4-3-5-9(8)18-10/h2-7H2,1H3,(H,13,15)
InChIKeyJLDJESLCGBGAHF-UHFFFAOYSA-N
XLogP0.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate 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

N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164634350
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91781350
Ethyl 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2-oxoacetate
CID 54962430
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methoxyacetamide
CID 56823152
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(2-methoxyethyl)piperazin-2-one
CID 75500110
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91835153
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(tetrahydro-2H-pyran-2-ylmethoxy)acetamide
CID 91840943
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 110459244
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]propanamide
CID 110459281
methyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110459477
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 110460384
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methoxyacetamide
CID 110460501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate (CID 110461553) is ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1nc2c(s1)CCC2.
What is the InChIKey of ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate?
The InChIKey is JLDJESLCGBGAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-17-12(16)11(15)13-7-6-10-14-8-4-3-5-9(8)18-10/h2-7H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate has a molecular weight of 268.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 110461553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).