(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one

C14H12N4OS — CID 18842175

IUPAC(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc[nH]2)S/C1=N/c1cccnc1
InChIInChI=1S/C14H12N4OS/c1-18-13(19)12(8-10-4-3-7-16-10)20-14(18)17-11-5-2-6-15-9-11/h2-9,16H,1H3/b12-8+,17-14+
InChIKeyPHSXTTSLASQDQQ-WHVZTFIZSA-N
MW284.34 g/mol
LogP2.64
Rot. Bonds2

About (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 18842175) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID18842175
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc[nH]2)S/C1=N/c1cccnc1
InChIInChI=1S/C14H12N4OS/c1-18-13(19)12(8-10-4-3-7-16-10)20-14(18)17-11-5-2-6-15-9-11/h2-9,16H,1H3/b12-8+,17-14+
InChIKeyPHSXTTSLASQDQQ-WHVZTFIZSA-N
XLogP2.64
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
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

(5E)-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842176
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842228
(5Z)-2-(3-hydroxyphenyl)imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 27409064
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842279
(2E,5Z)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845799
(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842288
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842290
(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842274
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
(5E)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 18843721
(5Z)-3-cyclohexyl-2-pyridin-3-ylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842628
(5Z)-5-[1-(3-methoxyphenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842220

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 18842175) is (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccc[nH]2)S/C1=N/c1cccnc1.
What is the InChIKey of (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PHSXTTSLASQDQQ-WHVZTFIZSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-18-13(19)12(8-10-4-3-7-16-10)20-14(18)17-11-5-2-6-15-9-11/h2-9,16H,1H3/b12-8+,17-14+.
What are the key properties of (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).