(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one

C20H20FN3OS — CID 7420636

IUPAC(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H20FN3OS/c1-13-4-7-17(14(2)10-13)11-22-23-20-24(19(25)15(3)26-20)12-16-5-8-18(21)9-6-16/h4-11,15H,12H2,1-3H3/b22-11-,23-20-/t15-/m0/s1
InChIKeyXMKWKFDLZXGMOH-KNONYTRDSA-N
MW369.47 g/mol
LogP4.30
Rot. Bonds4

About (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one

(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 7420636) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
PubChem CID7420636
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N\N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C20H20FN3OS/c1-13-4-7-17(14(2)10-13)11-22-23-20-24(19(25)15(3)26-20)12-16-5-8-18(21)9-6-16/h4-11,15H,12H2,1-3H3/b22-11-,23-20-/t15-/m0/s1
InChIKeyXMKWKFDLZXGMOH-KNONYTRDSA-N
XLogP4.30
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one (CID 7420636) is (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one is Cc1ccc(/C=N\N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is XMKWKFDLZXGMOH-KNONYTRDSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-4-7-17(14(2)10-13)11-22-23-20-24(19(25)15(3)26-20)12-16-5-8-18(21)9-6-16/h4-11,15H,12H2,1-3H3/b22-11-,23-20-/t15-/m0/s1.
What are the key properties of (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one?
(2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-2-[(Z)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 7420636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).