2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C15H17NO4S — CID 86914535

IUPAC2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOCCOC(=O)c1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H17NO4S/c1-3-19-8-9-20-15(17)13-10-21-14(16-13)11-4-6-12(18-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyXJQURXWWDURBDH-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.01
Rot. Bonds7

About 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 86914535) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID86914535
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOCCOC(=O)c1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H17NO4S/c1-3-19-8-9-20-15(17)13-10-21-14(16-13)11-4-6-12(18-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3
InChIKeyXJQURXWWDURBDH-UHFFFAOYSA-N
XLogP3.01
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-cyanopropyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 43056496
2-(1-methylpyrazol-4-yl)ethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 75421140
(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 55570949
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136069
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9134946
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 86914535) is 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is CCOCCOC(=O)c1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is XJQURXWWDURBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-19-8-9-20-15(17)13-10-21-14(16-13)11-4-6-12(18-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86914535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).