ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate

C8H12N2O2S — CID 23627814

IUPACethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1N
InChIInChI=1S/C8H12N2O2S/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3
InChIKeyQHLZYAIVDXLQRL-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.46
Rot. Bonds3

About ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate (PubChem CID 23627814) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate
PubChem CID23627814
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1N
InChIInChI=1S/C8H12N2O2S/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3
InChIKeyQHLZYAIVDXLQRL-UHFFFAOYSA-N
XLogP1.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-2-ethyl-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate (CID 23627814) is ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC)sc1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate?
The InChIKey is QHLZYAIVDXLQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-5-10-6(7(9)13-5)8(11)12-4-2/h3-4,9H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23627814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).