(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one

C20H19FN2O2S — CID 135949892

IUPAC(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2S/c1-11(2)15-10-16(12(3)8-17(15)24)22-19-18(26-20(25)23-19)9-13-4-6-14(21)7-5-13/h4-11,24H,1-3H3,(H,22,23,25)/b18-9-
InChIKeyPRCBYAGGCLXXOY-NVMNQCDNSA-N
MW370.45 g/mol
LogP5.49
Rot. Bonds3

About (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one

(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135949892) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135949892
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one
SMILESCc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2S/c1-11(2)15-10-16(12(3)8-17(15)24)22-19-18(26-20(25)23-19)9-13-4-6-14(21)7-5-13/h4-11,24H,1-3H3,(H,22,23,25)/b18-9-
InChIKeyPRCBYAGGCLXXOY-NVMNQCDNSA-N
XLogP5.49
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one (CID 135949892) is (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one is Cc1cc(O)c(C(C)C)cc1/N=C1/NC(=O)S/C1=C\c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is PRCBYAGGCLXXOY-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-11(2)15-10-16(12(3)8-17(15)24)22-19-18(26-20(25)23-19)9-13-4-6-14(21)7-5-13/h4-11,24H,1-3H3,(H,22,23,25)/b18-9-.
What are the key properties of (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one?
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 370.45 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).