2-methoxyethyl 2H-1,3-thiazole-3-carboxylate

C7H11NO3S — CID 141008097

IUPAC2-methoxyethyl 2H-1,3-thiazole-3-carboxylate
SMILESCOCCOC(=O)N1C=CSC1
InChIInChI=1S/C7H11NO3S/c1-10-3-4-11-7(9)8-2-5-12-6-8/h2,5H,3-4,6H2,1H3
InChIKeyCSGHHUCUEGRYHJ-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.25
Rot. Bonds3

About 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate

2-methoxyethyl 2H-1,3-thiazole-3-carboxylate (PubChem CID 141008097) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2H-1,3-thiazole-3-carboxylate
PubChem CID141008097
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name2-methoxyethyl 2H-1,3-thiazole-3-carboxylate
SMILESCOCCOC(=O)N1C=CSC1
InChIInChI=1S/C7H11NO3S/c1-10-3-4-11-7(9)8-2-5-12-6-8/h2,5H,3-4,6H2,1H3
InChIKeyCSGHHUCUEGRYHJ-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-bromo-2H-1,3-thiazole-3-carboxylate
CID 67377847
ethyl 5-amino-2H-1,3-thiazole-3-carboxylate
CID 69089380
ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
CID 69174231
ethyl 2H-1,3-thiazole-3-carboxylate
CID 70119022
Ethyl 1,4-thiazine-4-carboxylate
CID 70183517
methyl 2H-1,3-thiazole-3-carboxylate
CID 141008100
2-ethylsulfanylethyl 2H-1,3-thiazole-3-carboxylate
CID 141008123
but-2-ynyl 2H-1,3-thiazole-3-carboxylate
CID 141008124
2-(2-methoxyethoxy)ethyl 2H-1,3-thiazole-3-carboxylate
CID 141008136
Propyl 2-sulfanylidene-1,3-thiazole-3-carboxylate
CID 141096501
ethyl 2H-1,3-thiazole-3-carboxylate;hydrochloride
CID 174466202
methyl 2H-1,3-thiazole-3-carboxylate;dihydrochloride
CID 174497510

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate (CID 141008097) is 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate is COCCOC(=O)N1C=CSC1.
What is the InChIKey of 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate?
The InChIKey is CSGHHUCUEGRYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-10-3-4-11-7(9)8-2-5-12-6-8/h2,5H,3-4,6H2,1H3.
What are the key properties of 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate?
2-methoxyethyl 2H-1,3-thiazole-3-carboxylate has a molecular weight of 189.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 141008097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).