(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

C17H13FN2OS — CID 1361021

IUPAC(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20(17(19)22-15)14-8-6-13(18)7-9-14/h2-10,19H,1H3/b15-10-,19-17-
InChIKeyCJUPKBJQYUBNCX-VUDPKCRPSA-N
MW312.37 g/mol
LogP4.19
Rot. Bonds2

About (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1361021) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1361021
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20(17(19)22-15)14-8-6-13(18)7-9-14/h2-10,19H,1H3/b15-10-,19-17-
InChIKeyCJUPKBJQYUBNCX-VUDPKCRPSA-N
XLogP4.19
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 1361021) is (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CJUPKBJQYUBNCX-VUDPKCRPSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20(17(19)22-15)14-8-6-13(18)7-9-14/h2-10,19H,1H3/b15-10-,19-17-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1361021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).