diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate

C16H17NO5S — CID 149293605

IUPACdiethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)cc2)sc1C(=O)OCC
InChIInChI=1S/C16H17NO5S/c1-4-21-15(18)12-13(16(19)22-5-2)23-14(17-12)10-6-8-11(20-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyXVIONWSQAMYVOH-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.17
Rot. Bonds6

About diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate

diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate (PubChem CID 149293605) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
PubChem CID149293605
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namediethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(-c2ccc(OC)cc2)sc1C(=O)OCC
InChIInChI=1S/C16H17NO5S/c1-4-21-15(18)12-13(16(19)22-5-2)23-14(17-12)10-6-8-11(20-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyXVIONWSQAMYVOH-UHFFFAOYSA-N
XLogP3.17
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915
ethyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 107376184
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127
diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
CID 167933710
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate (CID 149293605) is diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1nc(-c2ccc(OC)cc2)sc1C(=O)OCC.
What is the InChIKey of diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is XVIONWSQAMYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-4-21-15(18)12-13(16(19)22-5-2)23-14(17-12)10-6-8-11(20-3)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate?
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 335.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 149293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).