(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C17H12F3N3OS — CID 134148651

IUPAC(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3OS/c1-23-15(24)14(10-11-6-8-21-9-7-11)25-16(23)22-13-4-2-12(3-5-13)17(18,19)20/h2-10H,1H3/b14-10-,22-16+
InChIKeySBWZCGURSKPMSJ-NDWUGUBKSA-N
MW363.36 g/mol
LogP4.33
Rot. Bonds2

About (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 134148651) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID134148651
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3OS/c1-23-15(24)14(10-11-6-8-21-9-7-11)25-16(23)22-13-4-2-12(3-5-13)17(18,19)20/h2-10H,1H3/b14-10-,22-16+
InChIKeySBWZCGURSKPMSJ-NDWUGUBKSA-N
XLogP4.33
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.33
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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Related Compounds

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(2E,5Z)-2-((2,4-dimethylphenyl)imino)-5-((1-methyl-1H-pyrrol-2-yl)methylene)thiazolidin-4-one
CID 135628212
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
(Z)-2-(piperidin-1-yl)-5-(pyridin-4-ylmethylene)thiazol-4(5H)-one
CID 725712
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
3-Benzyl-5-(4-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1940966
3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 134148651) is (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccncc2)S/C1=N/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is SBWZCGURSKPMSJ-NDWUGUBKSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-23-15(24)14(10-11-6-8-21-9-7-11)25-16(23)22-13-4-2-12(3-5-13)17(18,19)20/h2-10H,1H3/b14-10-,22-16+.
What are the key properties of (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
(5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 363.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(pyridin-4-ylmethylidene)-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 134148651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).