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

C16H11ClF3N3OS — CID 135707253

IUPAC(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccn2)SC1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N3OS/c17-11-5-4-10(16(18,19)20)7-9(11)8-12-14(24)23-15(25-12)22-13-3-1-2-6-21-13/h1-7,12H,8H2,(H,21,22,23,24)
InChIKeyCEBALFULJHKJGH-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.22
Rot. Bonds3

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

(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135707253) has the molecular formula C16H11ClF3N3OS and a molecular weight of 385.80 g/mol. Its IUPAC name is (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID135707253
Molecular FormulaC16H11ClF3N3OS
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC Name(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccn2)SC1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N3OS/c17-11-5-4-10(16(18,19)20)7-9(11)8-12-14(24)23-15(25-12)22-13-3-1-2-6-21-13/h1-7,12H,8H2,(H,21,22,23,24)
InChIKeyCEBALFULJHKJGH-UHFFFAOYSA-N
XLogP4.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[8-(4-Chloro-phenyl)-octylsulfanyl]-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470406
5-(2-Chloro-benzyl)-2-[(E)-pyridin-2-ylimino]-thiazolidin-4-one
CID 135635832
2-(2-Chloro-6-fluoro-phenyl)-3-(2-pyridyl)thiazolidin-4-one
CID 501027
2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide
CID 825003
2-(4-Chloro-benzylsulfanyl)-5-pyridin-3-ylmethyl-1H-pyrimidin-4-one
CID 18470304
5-(3-Methylbenzyl)-2-(2-pyridinylimino)-1,3-thiazolidin-4-one
CID 135446711
5-[(3-Methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135414156
(2Z)-5-(4-chlorobenzyl)-2-(pyridin-2-ylimino)-1,3-thiazolidin-4-one
CID 135410626
5-[(4-Fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135414167
2-(2-Pyridylimino)-5-(3-trifluoromethylbenzyl)-thiazolidin-4-one
CID 135414170
(2Z)-5-benzyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135449209
(E)-5-(4-chlorobenzyl)-2-(pyridin-2-ylimino)thiazolidin-4-one
CID 135455178

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 135707253) is (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccn2)SC1Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is CEBALFULJHKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3OS/c17-11-5-4-10(16(18,19)20)7-9(11)8-12-14(24)23-15(25-12)22-13-3-1-2-6-21-13/h1-7,12H,8H2,(H,21,22,23,24).
What are the key properties of (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 385.80 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135707253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).