ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate

C12H17N3O4S — CID 61012652

IUPACethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C12H17N3O4S/c1-4-15(6-10(17)19-5-2)11(18)9-7-20-12(14-9)13-8(3)16/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyWURLSZZDYKLTNL-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.13
Rot. Bonds6

About ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate

ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate (PubChem CID 61012652) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
PubChem CID61012652
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Nameethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C12H17N3O4S/c1-4-15(6-10(17)19-5-2)11(18)9-7-20-12(14-9)13-8(3)16/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyWURLSZZDYKLTNL-UHFFFAOYSA-N
XLogP1.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]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 3-[ethyl-[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 84556484
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
CID 107434591
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605170
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate (CID 61012652) is ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate?
The InChIKey is WURLSZZDYKLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-4-15(6-10(17)19-5-2)11(18)9-7-20-12(14-9)13-8(3)16/h7H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate?
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate has a molecular weight of 299.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 61012652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).