(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one

C16H13N3OS — CID 6342914

IUPAC(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-19-15(20)14(11-12-7-9-17-10-8-12)21-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3/b14-11+,18-16-
InChIKeyPGENWZYYRAFGOG-YEJJRFHNSA-N
MW295.37 g/mol
LogP3.32
Rot. Bonds2

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

(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 6342914) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID6342914
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1
InChIInChI=1S/C16H13N3OS/c1-19-15(20)14(11-12-7-9-17-10-8-12)21-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3/b14-11+,18-16-
InChIKeyPGENWZYYRAFGOG-YEJJRFHNSA-N
XLogP3.32
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 6342914) is (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccncc2)S/C1=N\c1ccccc1.
What is the InChIKey of (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is PGENWZYYRAFGOG-YEJJRFHNSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-19-15(20)14(11-12-7-9-17-10-8-12)21-16(19)18-13-5-3-2-4-6-13/h2-11H,1H3/b14-11+,18-16-.
What are the key properties of (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 295.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-2-phenylimino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6342914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).