5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one

C10H11N3O2S — CID 143468203

IUPAC5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)C(c2ccnc(OC)c2)S1
InChIInChI=1S/C10H11N3O2S/c1-11-10-13-9(14)8(16-10)6-3-4-12-7(5-6)15-2/h3-5,8H,1-2H3,(H,11,13,14)
InChIKeyBYHNRXKAGGZQLQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.98
Rot. Bonds2

About 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one

5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 143468203) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one
PubChem CID143468203
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)C(c2ccnc(OC)c2)S1
InChIInChI=1S/C10H11N3O2S/c1-11-10-13-9(14)8(16-10)6-3-4-12-7(5-6)15-2/h3-5,8H,1-2H3,(H,11,13,14)
InChIKeyBYHNRXKAGGZQLQ-UHFFFAOYSA-N
XLogP0.98
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
CID 136595664
3-(2-methoxy-4-pyridinyl)cyclobutan-1-amine
CID 118049997
2-methoxy-4-nitrosopyridine
CID 178043573
3-[(2-methoxy-4-pyridinyl)methylamino]azepan-2-one
CID 62989736
2-(2-methoxy-4-pyridinyl)-7,7-dimethyl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
CID 67937354
(2S,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96899124
5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 137083057
(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696
1-[(2-methoxy-4-pyridinyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64969988
6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64969999

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one (CID 143468203) is 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/NC(=O)C(c2ccnc(OC)c2)S1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is BYHNRXKAGGZQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-11-10-13-9(14)8(16-10)6-3-4-12-7(5-6)15-2/h3-5,8H,1-2H3,(H,11,13,14).
What are the key properties of 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one?
5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 237.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).