ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate

C15H16N2O2S — CID 80567840

IUPACethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCc3ccccc32)n1
InChIInChI=1S/C15H16N2O2S/c1-2-19-14(18)12-10-20-15(16-12)17-9-5-7-11-6-3-4-8-13(11)17/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyONCSVMVLTMABGF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.40
Rot. Bonds3

About ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 80567840) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID80567840
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCCc3ccccc32)n1
InChIInChI=1S/C15H16N2O2S/c1-2-19-14(18)12-10-20-15(16-12)17-9-5-7-11-6-3-4-8-13(11)17/h3-4,6,8,10H,2,5,7,9H2,1H3
InChIKeyONCSVMVLTMABGF-UHFFFAOYSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3-thiazole-4-carboxylate
CID 80569322
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-4-carboxylate
CID 80569082
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568097
ethyl 2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3-thiazole-4-carboxylate
CID 102729075
ethyl 2-(3-chloro-4-cyclopropyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-8-yl)-1,3-thiazole-4-carboxylate
CID 155593645
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161957
ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 112732132
ethyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877329
ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 69189291
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962832
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766572

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate (CID 80567840) is ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCCc3ccccc32)n1.
What is the InChIKey of ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is ONCSVMVLTMABGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-14(18)12-10-20-15(16-12)17-9-5-7-11-6-3-4-8-13(11)17/h3-4,6,8,10H,2,5,7,9H2,1H3.
What are the key properties of ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80567840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).