(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C18H14F3N3O2S — CID 135851539

IUPAC(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2O)S[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)13-6-3-4-11(8-13)9-15-16(26)23-17(27-15)24-22-10-12-5-1-2-7-14(12)25/h1-8,10,15,25H,9H2,(H,23,24,26)/b22-10+/t15-/m0/s1
InChIKeyHZEQUDKUOVXHIW-GTQIFZCBSA-N
MW393.39 g/mol
LogP3.58
Rot. Bonds4

About (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135851539) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135851539
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2O)S[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)13-6-3-4-11(8-13)9-15-16(26)23-17(27-15)24-22-10-12-5-1-2-7-14(12)25/h1-8,10,15,25H,9H2,(H,23,24,26)/b22-10+/t15-/m0/s1
InChIKeyHZEQUDKUOVXHIW-GTQIFZCBSA-N
XLogP3.58
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,5R)-5-benzyl-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851356
(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135815354
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 137186438
(2Z,5R)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135934506
(2E,5S)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666862
2-[(2E)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135588596
(2E)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135426189
(5R)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231531
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851532
(5S)-5-[(4-bromophenyl)methyl]-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231530
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851357
(2Z)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135529616

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135851539) is (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccccc2O)S[C@H]1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is HZEQUDKUOVXHIW-GTQIFZCBSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)13-6-3-4-11(8-13)9-15-16(26)23-17(27-15)24-22-10-12-5-1-2-7-14(12)25/h1-8,10,15,25H,9H2,(H,23,24,26)/b22-10+/t15-/m0/s1.
What are the key properties of (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 393.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135851539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).