(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H22F2N4O2S2 — CID 136906275

IUPAC(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccc(N3CCOCC3)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H22F2N4O2S2/c23-21(24)31-18-7-3-15(4-8-18)13-19-20(29)26-22(32-19)27-25-14-16-1-5-17(6-2-16)28-9-11-30-12-10-28/h1-8,14,19,21H,9-13H2,(H,26,27,29)/b25-14-/t19-/m1/s1
InChIKeyMFFPBKZVRROHNR-LPANUZLBSA-N
MW476.57 g/mol
LogP4.00
Rot. Bonds7

About (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136906275) has the molecular formula C22H22F2N4O2S2 and a molecular weight of 476.57 g/mol. Its IUPAC name is (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID136906275
Molecular FormulaC22H22F2N4O2S2
Molecular Weight476.57 g/mol
Exact Mass476.12
IUPAC Name(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccc(N3CCOCC3)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H22F2N4O2S2/c23-21(24)31-18-7-3-15(4-8-18)13-19-20(29)26-22(32-19)27-25-14-16-1-5-17(6-2-16)28-9-11-30-12-10-28/h1-8,14,19,21H,9-13H2,(H,26,27,29)/b25-14-/t19-/m1/s1
InChIKeyMFFPBKZVRROHNR-LPANUZLBSA-N
XLogP4.00
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135643806
(2E,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851835
2-[2-[(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135522439
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135533365
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135576445
2-[(2E,5R)-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135768505
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(9-ethylcarbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135776388
(2Z)-2-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135576455
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135468974
(2Z,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136829496
(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 136773708
(2E)-2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136906275) is (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C/c2ccc(N3CCOCC3)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1.
What is the InChIKey of (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MFFPBKZVRROHNR-LPANUZLBSA-N. The full InChI is InChI=1S/C22H22F2N4O2S2/c23-21(24)31-18-7-3-15(4-8-18)13-19-20(29)26-22(32-19)27-25-14-16-1-5-17(6-2-16)28-9-11-30-12-10-28/h1-8,14,19,21H,9-13H2,(H,26,27,29)/b25-14-/t19-/m1/s1.
What are the key properties of (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 476.57 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(4-morpholin-4-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136906275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).