ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

C17H17N3O4S — CID 47017094

IUPACethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1C
InChIInChI=1S/C17H17N3O4S/c1-3-24-16(23)14-9(2)18-17(25-14)20-15(22)11-8-13(21)19-12-7-5-4-6-10(11)12/h4-7,11H,3,8H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyQMYKUZLCFXOZPT-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.69
Rot. Bonds4

About ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 47017094) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID47017094
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Nameethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1C
InChIInChI=1S/C17H17N3O4S/c1-3-24-16(23)14-9(2)18-17(25-14)20-15(22)11-8-13(21)19-12-7-5-4-6-10(11)12/h4-7,11H,3,8H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyQMYKUZLCFXOZPT-UHFFFAOYSA-N
XLogP2.69
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 47017094) is ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is QMYKUZLCFXOZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-24-16(23)14-9(2)18-17(25-14)20-15(22)11-8-13(21)19-12-7-5-4-6-10(11)12/h4-7,11H,3,8H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47017094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).