(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H15ClFN3OS — CID 135748348

IUPAC(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3OS/c1-11(13-4-8-15(20)9-5-13)22-23-18-21-17(24)16(25-18)10-12-2-6-14(19)7-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11+/t16-/m0/s1
InChIKeyBSWUGTZLUADDFH-RSFOSLOZSA-N
MW375.86 g/mol
LogP4.03
Rot. Bonds4

About (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135748348) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135748348
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC Name(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3OS/c1-11(13-4-8-15(20)9-5-13)22-23-18-21-17(24)16(25-18)10-12-2-6-14(19)7-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11+/t16-/m0/s1
InChIKeyBSWUGTZLUADDFH-RSFOSLOZSA-N
XLogP4.03
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
5-[(3-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135480835
2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 137206228
(2E,5S)-5-[(4-fluorophenyl)methyl]-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749691
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135617322
(2Z,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136869245
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689
5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
2-[(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135845629
(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135788955
(2E,5S)-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135749663

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135748348) is (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1.
What is the InChIKey of (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BSWUGTZLUADDFH-RSFOSLOZSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c1-11(13-4-8-15(20)9-5-13)22-23-18-21-17(24)16(25-18)10-12-2-6-14(19)7-3-12/h2-9,16H,10H2,1H3,(H,21,23,24)/b22-11+/t16-/m0/s1.
What are the key properties of (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 375.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135748348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).