(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one

C14H14FN3OS — CID 17129549

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCNCC2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c15-11-3-1-10(2-4-11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2/b12-9+
InChIKeyRQLKGVYKNOZCIS-FMIVXFBMSA-N
MW291.35 g/mol
LogP1.70
Rot. Bonds1

About (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one

(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (PubChem CID 17129549) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
PubChem CID17129549
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCNCC2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C14H14FN3OS/c15-11-3-1-10(2-4-11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2/b12-9+
InChIKeyRQLKGVYKNOZCIS-FMIVXFBMSA-N
XLogP1.70
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 4126226
2-(4-ethylpiperazin-1-yl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
CID 3900496
(5Z)-5-[(4-bromophenyl)methylidene]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 21369718
5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 71961752
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 69011437
(5E)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 17129558
(5Z)-5-[(4-fluorophenyl)methylidene]-2-[(3S)-3-phenylpyrrolidin-1-yl]-1,3-thiazol-4-one
CID 5442104
5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
CID 69012133
(5E)-2-(azepan-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 695230
(5Z)-5-[(4-methylphenyl)methylidene]-2-thiomorpholin-4-yl-1,3-thiazol-4-one
CID 69012130
(5E)-5-(pyridin-4-ylmethylidene)-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 17045298
5-[(4-fluorophenyl)methylidene]-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-one
CID 71833611

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (CID 17129549) is (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCNCC2)S/C1=C/c1ccc(F)cc1.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The InChIKey is RQLKGVYKNOZCIS-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-11-3-1-10(2-4-11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2/b12-9+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one has a molecular weight of 291.35 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 17129549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).