5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one

C12H15N3OS — CID 137292348

IUPAC5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N/c2ccncc2)NC1=O
InChIInChI=1S/C12H15N3OS/c1-2-3-4-10-11(16)15-12(17-10)14-9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyQMWSXDIOUKGHDJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.49
Rot. Bonds4

About 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one

5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one (PubChem CID 137292348) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
PubChem CID137292348
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N/c2ccncc2)NC1=O
InChIInChI=1S/C12H15N3OS/c1-2-3-4-10-11(16)15-12(17-10)14-9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyQMWSXDIOUKGHDJ-UHFFFAOYSA-N
XLogP2.49
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one
CID 137292344
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135707373
(2Z)-5-butyl-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135585366
6-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]hexanoic acid
CID 135419265
(2Z)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-5-butyl-1,3-thiazolidin-4-one
CID 135794082
5-hexyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292322
2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
CID 137292329
2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135523652
2-naphthalen-1-ylimino-5-propyl-1,3-thiazolidin-4-one
CID 137292315
(2Z)-5-butyl-2-(cyclohexylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135413844
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one (CID 137292348) is 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one is CCCCC1S/C(=N/c2ccncc2)NC1=O.
What is the InChIKey of 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
The InChIKey is QMWSXDIOUKGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-3-4-10-11(16)15-12(17-10)14-9-5-7-13-8-6-9/h5-8,10H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one?
5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one has a molecular weight of 249.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-pyridin-4-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).