(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H12N2OS2 — CID 2259949

IUPAC(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C=CC=C/C1=C1\SC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12N2OS2/c1-16-10-6-5-9-12(16)13-14(18)17(15(19)20-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12+
InChIKeyJOTYPKOPOQNMCZ-OUKQBFOZSA-N
MW300.41 g/mol
LogP3.28
Rot. Bonds1

About (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2259949) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2259949
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C=CC=C/C1=C1\SC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12N2OS2/c1-16-10-6-5-9-12(16)13-14(18)17(15(19)20-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12+
InChIKeyJOTYPKOPOQNMCZ-OUKQBFOZSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-Phenylrhodanine
CID 73822
Piperidine, 1-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866378
Rhodanine, 3-(p-iodophenyl)-
CID 100339
5-Methyl-3-phenyl-2-thioxo-4-thiazolidinone
CID 98329
3-[4-(Dimethylamino)phenyl]-5-methyl-2-thioxo-1,3-thiazolidin-4-one
CID 2919611
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
CID 3727641
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
3-ethyl-5-[3-(N-methylanilino)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 327529
3-[4-(Dimethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1321754
3-(4-Bromophenyl)-5-[(dimethylamino)methylidene]-2-thioxo-1,3-thiazolan-4-one
CID 2732118
(2Z)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-N-phenylacetamide
CID 134138044

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2259949) is (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is CN1C=CC=C/C1=C1\SC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JOTYPKOPOQNMCZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-16-10-6-5-9-12(16)13-14(18)17(15(19)20-13)11-7-3-2-4-8-11/h2-10H,1H3/b13-12+.
What are the key properties of (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-methyl-2-pyridinylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2259949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).