2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate

C9H15NO4S — CID 141008136

IUPAC2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate
SMILESCOCCOCCOC(=O)N1C=CSC1
InChIInChI=1S/C9H15NO4S/c1-12-3-4-13-5-6-14-9(11)10-2-7-15-8-10/h2,7H,3-6,8H2,1H3
InChIKeyKPEHKSOYPVMLJK-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate

2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate (PubChem CID 141008136) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate
PubChem CID141008136
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate
SMILESCOCCOCCOC(=O)N1C=CSC1
InChIInChI=1S/C9H15NO4S/c1-12-3-4-13-5-6-14-9(11)10-2-7-15-8-10/h2,7H,3-6,8H2,1H3
InChIKeyKPEHKSOYPVMLJK-UHFFFAOYSA-N
XLogP1.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-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-methyl-2H-1,3-thiazole-3-carboxylate
CID 69174231
ethyl 2H-1,3-thiazole-3-carboxylate
CID 70119022
2-methoxyethyl 2H-1,3-thiazole-3-carboxylate
CID 141008097
2-ethylsulfanylethyl 2H-1,3-thiazole-3-carboxylate
CID 141008123
but-2-ynyl 2H-1,3-thiazole-3-carboxylate
CID 141008124
ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride
CID 174466202
ethyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride
CID 174512490
3-(Ethoxymethyl)-1,3-thiazol-2-one
CID 104599328

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate (CID 141008136) is 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate is COCCOCCOC(=O)N1C=CSC1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate?
The InChIKey is KPEHKSOYPVMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-12-3-4-13-5-6-14-9(11)10-2-7-15-8-10/h2,7H,3-6,8H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate?
2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 141008136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).