ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate

C9H12N2O3S — CID 175729291

IUPACethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1N1CC(O)C1
InChIInChI=1S/C9H12N2O3S/c1-2-14-9(13)7-8(15-5-10-7)11-3-6(12)4-11/h5-6,12H,2-4H2,1H3
InChIKeyHDMQVWLMLQNXKE-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.50
Rot. Bonds3

About ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate

ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 175729291) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID175729291
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1N1CC(O)C1
InChIInChI=1S/C9H12N2O3S/c1-2-14-9(13)7-8(15-5-10-7)11-3-6(12)4-11/h5-6,12H,2-4H2,1H3
InChIKeyHDMQVWLMLQNXKE-UHFFFAOYSA-N
XLogP0.50
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(3-hydroxyazetidin-1-yl)-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-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate (CID 175729291) is ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1N1CC(O)C1.
What is the InChIKey of ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is HDMQVWLMLQNXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-14-9(13)7-8(15-5-10-7)11-3-6(12)4-11/h5-6,12H,2-4H2,1H3.
What are the key properties of ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 175729291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).