2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate

C10H15NO5S — CID 126503353

IUPAC2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
SMILESCOCCOC(=O)c1cnc(OCCOC)s1
InChIInChI=1S/C10H15NO5S/c1-13-3-5-15-9(12)8-7-11-10(17-8)16-6-4-14-2/h7H,3-6H2,1-2H3
InChIKeyMMBTVQBGWOZPJP-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.97
Rot. Bonds8

About 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate

2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate (PubChem CID 126503353) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
PubChem CID126503353
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
SMILESCOCCOC(=O)c1cnc(OCCOC)s1
InChIInChI=1S/C10H15NO5S/c1-13-3-5-15-9(12)8-7-11-10(17-8)16-6-4-14-2/h7H,3-6H2,1-2H3
InChIKeyMMBTVQBGWOZPJP-UHFFFAOYSA-N
XLogP0.97
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylic acid;2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 162148824
2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate
CID 167758388
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
but-3-ynyl 2-propyl-1,3-thiazole-5-carboxylate
CID 71988250
2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
CID 170550057
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 82171902
2-methoxyethyl 5-methyl-4-sulfamoylthiophene-2-carboxylate
CID 112689917
2-[3-(2-methoxyethoxy)propoxy]-1,3-thiazol-5-amine
CID 103400965
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797
2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
CID 82422332

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate (CID 126503353) is 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate is COCCOC(=O)c1cnc(OCCOC)s1.
What is the InChIKey of 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is MMBTVQBGWOZPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-13-3-5-15-9(12)8-7-11-10(17-8)16-6-4-14-2/h7H,3-6H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate?
2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 126503353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).