diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate

C18H16N2O4S — CID 167933710

IUPACdiethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(-c2cnc3ccccc3c2)sc1C(=O)OCC
InChIInChI=1S/C18H16N2O4S/c1-3-23-17(21)14-15(18(22)24-4-2)25-16(20-14)12-9-11-7-5-6-8-13(11)19-10-12/h5-10H,3-4H2,1-2H3
InChIKeyJMINRTFFDHOJDD-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.71
Rot. Bonds5

About diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate

diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate (PubChem CID 167933710) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
PubChem CID167933710
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namediethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(-c2cnc3ccccc3c2)sc1C(=O)OCC
InChIInChI=1S/C18H16N2O4S/c1-3-23-17(21)14-15(18(22)24-4-2)25-16(20-14)12-9-11-7-5-6-8-13(11)19-10-12/h5-10H,3-4H2,1-2H3
InChIKeyJMINRTFFDHOJDD-UHFFFAOYSA-N
XLogP3.71
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 5-acetyl-2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136701775
ethyl 5-amino-2-(5-amino-6-ethoxycarbonyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 166903913
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
CID 39117598
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
CID 20855145
ethyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 107376184
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905

Frequently Asked Questions

What is the IUPAC name of diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate (CID 167933710) is diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1nc(-c2cnc3ccccc3c2)sc1C(=O)OCC.
What is the InChIKey of diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is JMINRTFFDHOJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-3-23-17(21)14-15(18(22)24-4-2)25-16(20-14)12-9-11-7-5-6-8-13(11)19-10-12/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate?
diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 356.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-quinolin-3-yl-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 167933710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).