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

C14H14FN3OS — CID 71961752

IUPAC5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCNCC2)SC1=Cc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-11-4-2-1-3-10(11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2
InChIKeyZVLDKAGGULQIPV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.70
Rot. Bonds1

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

5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (PubChem CID 71961752) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
PubChem CID71961752
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCNCC2)SC1=Cc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-11-4-2-1-3-10(11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2
InChIKeyZVLDKAGGULQIPV-UHFFFAOYSA-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

(5E)-5-[(4-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 17129549
5-[(4-methylphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 4126226
2-(azepan-1-yl)-5-[(2-chlorophenyl)methylidene]-1,3-thiazol-4-one
CID 2878351
(5Z)-2-pyrrolidin-1-yl-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
CID 17045291
5-[(4,5-difluoro-2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 68637488
2-(azepan-1-yl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2878171
(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 69013028
5-[(4-tert-butylphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 69013031
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 69011437
(5Z)-5-[(2-hydroxy-3-methylphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 70951027
2-(azepan-1-yl)-5-[(2-propoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 3126404
(5E)-2-(4-benzylpiperazin-1-yl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazol-4-one
CID 11976865

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one (CID 71961752) is 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCNCC2)SC1=Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
The InChIKey is ZVLDKAGGULQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-11-4-2-1-3-10(11)9-12-13(19)17-14(20-12)18-7-5-16-6-8-18/h1-4,9,16H,5-8H2.
What are the key properties of 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one?
5-[(2-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 5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 71961752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).