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

C12H11FN2OS — CID 92976719

IUPAC(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cccc(F)c2)C(=O)N1C
InChIInChI=1S/C12H11FN2OS/c1-14-12-15(2)11(16)10(17-12)7-8-4-3-5-9(13)6-8/h3-7H,1-2H3/b10-7-,14-12+
InChIKeyZCLHQUIRTUUJRJ-QRVYLYQGSA-N
MW250.30 g/mol
LogP2.36
Rot. Bonds1

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

(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 92976719) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID92976719
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2cccc(F)c2)C(=O)N1C
InChIInChI=1S/C12H11FN2OS/c1-14-12-15(2)11(16)10(17-12)7-8-4-3-5-9(13)6-8/h3-7H,1-2H3/b10-7-,14-12+
InChIKeyZCLHQUIRTUUJRJ-QRVYLYQGSA-N
XLogP2.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
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)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 92976719) is (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2cccc(F)c2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is ZCLHQUIRTUUJRJ-QRVYLYQGSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-14-12-15(2)11(16)10(17-12)7-8-4-3-5-9(13)6-8/h3-7H,1-2H3/b10-7-,14-12+.
What are the key properties of (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 92976719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).