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

C19H15F4N3O2S2 — CID 136773708

IUPAC(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2ccccc2OC(F)F)S[C@@H]1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C19H15F4N3O2S2/c20-17(21)28-14-4-2-1-3-12(14)10-24-26-19-25-16(27)15(30-19)9-11-5-7-13(8-6-11)29-18(22)23/h1-8,10,15,17-18H,9H2,(H,25,26,27)/b24-10-/t15-/m1/s1
InChIKeyHCFKCVPPKKUMMP-LRRODXNISA-N
MW457.47 g/mol
LogP4.77
Rot. Bonds8

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

(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 136773708) has the molecular formula C19H15F4N3O2S2 and a molecular weight of 457.47 g/mol. Its IUPAC name is (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID136773708
Molecular FormulaC19H15F4N3O2S2
Molecular Weight457.47 g/mol
Exact Mass457.05
IUPAC Name(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C\c2ccccc2OC(F)F)S[C@@H]1Cc1ccc(SC(F)F)cc1
InChIInChI=1S/C19H15F4N3O2S2/c20-17(21)28-14-4-2-1-3-12(14)10-24-26-19-25-16(27)15(30-19)9-11-5-7-13(8-6-11)29-18(22)23/h1-8,10,15,17-18H,9H2,(H,25,26,27)/b24-10-/t15-/m1/s1
InChIKeyHCFKCVPPKKUMMP-LRRODXNISA-N
XLogP4.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800830
(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
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135675908
(2E)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(E)-(2-hydroxynaphthalen-1-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135628295
(2Z,5S)-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136829496
5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-[(1,3-diphenylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135468974
2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 172942203
(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135643804
(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135951942
(2Z)-5-[(4-bromophenyl)methyl]-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135930660

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 136773708) is (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C\c2ccccc2OC(F)F)S[C@@H]1Cc1ccc(SC(F)F)cc1.
What is the InChIKey of (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is HCFKCVPPKKUMMP-LRRODXNISA-N. The full InChI is InChI=1S/C19H15F4N3O2S2/c20-17(21)28-14-4-2-1-3-12(14)10-24-26-19-25-16(27)15(30-19)9-11-5-7-13(8-6-11)29-18(22)23/h1-8,10,15,17-18H,9H2,(H,25,26,27)/b24-10-/t15-/m1/s1.
What are the key properties of (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 457.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136773708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).