[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

C15H11N3O4S — CID 2413013

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C15H11N3O4S/c19-12-7-10(9-3-1-2-4-11(9)17-12)14(21)22-8-13(20)18-15-16-5-6-23-15/h1-7H,8H2,(H,17,19)(H,16,18,20)
InChIKeyFJDKTKGYNBORNQ-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.78
Rot. Bonds4

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2413013) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2413013
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nccs1
InChIInChI=1S/C15H11N3O4S/c19-12-7-10(9-3-1-2-4-11(9)17-12)14(21)22-8-13(20)18-15-16-5-6-23-15/h1-7H,8H2,(H,17,19)(H,16,18,20)
InChIKeyFJDKTKGYNBORNQ-UHFFFAOYSA-N
XLogP1.78
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2413013) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is FJDKTKGYNBORNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-12-7-10(9-3-1-2-4-11(9)17-12)14(21)22-8-13(20)18-15-16-5-6-23-15/h1-7H,8H2,(H,17,19)(H,16,18,20).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 329.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2413013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).