ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate

C8H12N2O3S — CID 5199406

IUPACethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(NC(C)=O)=N1
InChIInChI=1S/C8H12N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyJNLFDGPPXPSGOT-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.16
Rot. Bonds2

About ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate

ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 5199406) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID5199406
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Nameethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(NC(C)=O)=N1
InChIInChI=1S/C8H12N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyJNLFDGPPXPSGOT-UHFFFAOYSA-N
XLogP0.16
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate 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 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 343855
Methyl 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 19385522
N-Cyano-4-ethoxycarbonyl-thiazolidin-2-imine
CID 580908
Methyl 2-acetamido-5-bromo-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 89148289
Ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 89272039
Ethane;ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 143450848
2-Acetylamino-4,5-dihydro-thiazole-4-carboxylic acid
CID 3100745
Methyl 2-(2-acetamido-4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 3774786
(4R)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7188355
(4R)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7188356
(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7188357
(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7188358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 5199406) is ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate is CCOC(=O)C1CSC(NC(C)=O)=N1.
What is the InChIKey of ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is JNLFDGPPXPSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-3-13-7(12)6-4-14-8(10-6)9-5(2)11/h6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 216.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 5199406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).