2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one

C15H14N4O2S — CID 152756373

IUPAC2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccc3nccc(OC(C)C)c3n2)S1
InChIInChI=1S/C15H14N4O2S/c1-8(2)21-11-5-6-17-10-4-3-9(18-13(10)11)7-12-14(20)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19,20)
InChIKeyYNQITXXFCOHAJA-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.56
Rot. Bonds3

About 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one

2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 152756373) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID152756373
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccc3nccc(OC(C)C)c3n2)S1
InChIInChI=1S/C15H14N4O2S/c1-8(2)21-11-5-6-17-10-4-3-9(18-13(10)11)7-12-14(20)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19,20)
InChIKeyYNQITXXFCOHAJA-UHFFFAOYSA-N
XLogP2.56
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 152756373) is 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2ccc3nccc(OC(C)C)c3n2)S1.
What is the InChIKey of 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YNQITXXFCOHAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8(2)21-11-5-6-17-10-4-3-9(18-13(10)11)7-12-14(20)19-15(16)22-12/h3-8H,1-2H3,(H2,16,19,20).
What are the key properties of 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 314.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 152756373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).