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

C16H10F3N3OS — CID 135547119

IUPAC(5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccnc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-4-1-5-12(8-11)21-15-22-14(23)13(24-15)7-10-3-2-6-20-9-10/h1-9H,(H,21,22,23)/b13-7-
InChIKeyNJMIKBJSWJTZPE-QPEQYQDCSA-N
MW349.34 g/mol
LogP3.99
Rot. Bonds2

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

(5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135547119) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135547119
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name(5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccnc1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-4-1-5-12(8-11)21-15-22-14(23)13(24-15)7-10-3-2-6-20-9-10/h1-9H,(H,21,22,23)/b13-7-
InChIKeyNJMIKBJSWJTZPE-QPEQYQDCSA-N
XLogP3.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.99
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

(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
6-{(Z)-1-[1-(4-Fluorobenzyl)-1H-pyrrol-2-YL]methylidene}-5-imino-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-one
CID 6107078
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319
(2E,5Z)-5-(3-fluorobenzylidene)-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135506644
(2Z,5Z)-2-[(3-methylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547125
(2Z,5Z)-2-((2,3-dimethylphenyl)imino)-5-(pyridin-3-ylmethylene)thiazolidin-4-one
CID 135547126
(2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547146
(7Z)-3-(3-methylphenyl)-7-(pyridin-4-ylmethylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1864769

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135547119) is (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccnc1.
What is the InChIKey of (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is NJMIKBJSWJTZPE-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)11-4-1-5-12(8-11)21-15-22-14(23)13(24-15)7-10-3-2-6-20-9-10/h1-9H,(H,21,22,23)/b13-7-.
What are the key properties of (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 349.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(pyridin-3-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135547119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).