2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C9H7N3OS — CID 171128800

IUPAC2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccccn2)S1
InChIInChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)
InChIKeyLHGOQMPIWSCKBA-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.22
Rot. Bonds1

About 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 171128800) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID171128800
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2ccccn2)S1
InChIInChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)
InChIKeyLHGOQMPIWSCKBA-UHFFFAOYSA-N
XLogP1.22
TPSA65.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
5-[(2-ethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127950
2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
CID 171128182
(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
(5Z)-2-(4-hydroxyphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135935122
(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135781935
(5Z)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376612
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154735586
(5Z)-2-imino-5-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 138388085
(5E)-2-imino-5-[(5-methyl-1,2-diphenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 154792609

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 171128800) is 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2ccccn2)S1.
What is the InChIKey of 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is LHGOQMPIWSCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13).
What are the key properties of 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 205.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).