ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

C21H16N4O3S — CID 2382294

IUPACethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1
InChIInChI=1S/C21H16N4O3S/c1-2-28-20(27)18-12-29-21(24-18)25-19(26)14-11-17(16-9-5-6-10-22-16)23-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeySONVXKPCXOSCFV-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 2382294) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID2382294
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Nameethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1
InChIInChI=1S/C21H16N4O3S/c1-2-28-20(27)18-12-29-21(24-18)25-19(26)14-11-17(16-9-5-6-10-22-16)23-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeySONVXKPCXOSCFV-UHFFFAOYSA-N
XLogP4.18
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 23730379
CID 23730379
CID 2321116
CID 2321116
CID 2331654
CID 2331654
CID 2366877
CID 2366877
CID 2462581
CID 2462581
CID 24686799
CID 24686799
CID 25102520
CID 25102520
CID 145953534
CID 145953534
CID 2166024
CID 2166024
CID 89554836
CID 89554836
CID 118063006
CID 118063006
CID 3000167
CID 3000167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 2382294) is ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n1.
What is the InChIKey of ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SONVXKPCXOSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-2-28-20(27)18-12-29-21(24-18)25-19(26)14-11-17(16-9-5-6-10-22-16)23-15-8-4-3-7-13(14)15/h3-12H,2H2,1H3,(H,24,25,26).
What are the key properties of ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 404.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2382294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).