5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one

C12H15N3OS — CID 68708379

IUPAC5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1CC(N1CCSC1)C(=O)N2
InChIInChI=1S/C12H15N3OS/c13-9-2-1-3-10-8(9)6-11(12(16)14-10)15-4-5-17-7-15/h1-3,11H,4-7,13H2,(H,14,16)
InChIKeyFWYKLLLHEFKZKS-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.14
Rot. Bonds1

About 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one

5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 68708379) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID68708379
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1CC(N1CCSC1)C(=O)N2
InChIInChI=1S/C12H15N3OS/c13-9-2-1-3-10-8(9)6-11(12(16)14-10)15-4-5-17-7-15/h1-3,11H,4-7,13H2,(H,14,16)
InChIKeyFWYKLLLHEFKZKS-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one (CID 68708379) is 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one is Nc1cccc2c1CC(N1CCSC1)C(=O)N2.
What is the InChIKey of 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FWYKLLLHEFKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-9-2-1-3-10-8(9)6-11(12(16)14-10)15-4-5-17-7-15/h1-3,11H,4-7,13H2,(H,14,16).
What are the key properties of 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one?
5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 68708379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).