2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one

C15H15N3OS — CID 135989733

IUPAC2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2cccc3cnccc23)NC1=O
InChIInChI=1S/C15H15N3OS/c1-9(2)13-14(19)18-15(20-13)17-12-5-3-4-10-8-16-7-6-11(10)12/h3-9,13H,1-2H3,(H,17,18,19)
InChIKeyRGXFGAJDISETKR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.11
Rot. Bonds2

About 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one

2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989733) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989733
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2cccc3cnccc23)NC1=O
InChIInChI=1S/C15H15N3OS/c1-9(2)13-14(19)18-15(20-13)17-12-5-3-4-10-8-16-7-6-11(10)12/h3-9,13H,1-2H3,(H,17,18,19)
InChIKeyRGXFGAJDISETKR-UHFFFAOYSA-N
XLogP3.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989733) is 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/c2cccc3cnccc23)NC1=O.
What is the InChIKey of 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is RGXFGAJDISETKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)13-14(19)18-15(20-13)17-12-5-3-4-10-8-16-7-6-11(10)12/h3-9,13H,1-2H3,(H,17,18,19).
What are the key properties of 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-ylimino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).