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

C20H18FN3O2S — CID 4516007

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCN(c3ccccc3F)CC2)SC1=CC=Cc1ccco1
InChIInChI=1S/C20H18FN3O2S/c21-16-7-1-2-8-17(16)23-10-12-24(13-11-23)20-22-19(25)18(27-20)9-3-5-15-6-4-14-26-15/h1-9,14H,10-13H2
InChIKeyMLBTUOLAWPFVDS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.77
Rot. Bonds3

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one (PubChem CID 4516007) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one
PubChem CID4516007
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCN(c3ccccc3F)CC2)SC1=CC=Cc1ccco1
InChIInChI=1S/C20H18FN3O2S/c21-16-7-1-2-8-17(16)23-10-12-24(13-11-23)20-22-19(25)18(27-20)9-3-5-15-6-4-14-26-15/h1-9,14H,10-13H2
InChIKeyMLBTUOLAWPFVDS-UHFFFAOYSA-N
XLogP3.77
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(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-(furan-2-ylmethylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
CID 2055469
(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 18850690
5-[(4-ethoxyphenyl)methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 4761824
(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6137823
1-[5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 4315609
5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 4515954
5-[(2-fluorophenyl)methylidene]-2-piperazin-1-yl-1,3-thiazol-4-one
CID 71961752
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
5-[(4-chlorophenyl)methylidene]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 1279353
5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 3976608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one (CID 4516007) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one is O=C1N=C(N2CCN(c3ccccc3F)CC2)SC1=CC=Cc1ccco1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one?
The InChIKey is MLBTUOLAWPFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-16-7-1-2-8-17(16)23-10-12-24(13-11-23)20-22-19(25)18(27-20)9-3-5-15-6-4-14-26-15/h1-9,14H,10-13H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one has a molecular weight of 383.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 4516007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).