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

C16H12F3N3OS — CID 135665721

IUPAC(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-12-14(23)22-15(24-12)21-13-6-1-2-7-20-13/h1-8,12H,9H2,(H,20,21,22,23)/t12-/m1/s1
InChIKeyHAAREUIAIMREHT-GFCCVEGCSA-N
MW351.35 g/mol
LogP3.56
Rot. Bonds3

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

(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135665721) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135665721
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-12-14(23)22-15(24-12)21-13-6-1-2-7-20-13/h1-8,12H,9H2,(H,20,21,22,23)/t12-/m1/s1
InChIKeyHAAREUIAIMREHT-GFCCVEGCSA-N
XLogP3.56
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.56
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-[(6-methyl-2-pyridinyl)imino]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135498243
(2Z)-5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135707253
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574
(5R)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136717082
(5R)-2-(4-fluorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135690239
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135675530
(5R)-5-[(3-nitrophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136678569
(5S)-2-(4-chlorophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555571
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(5S)-2-(4-bromophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135912748
(5S)-5-[(4-bromophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 136851170
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135665721) is (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is HAAREUIAIMREHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)11-5-3-4-10(8-11)9-12-14(23)22-15(24-12)21-13-6-1-2-7-20-13/h1-8,12H,9H2,(H,20,21,22,23)/t12-/m1/s1.
What are the key properties of (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 351.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-2-pyridin-2-ylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).