(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

C21H20FN3OS — CID 18850682

IUPAC(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-15(16-7-9-17(22)10-8-16)19-20(26)23-21(27-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3/b19-15-
InChIKeyISOZUKGPSIBSSG-CYVLTUHYSA-N
MW381.48 g/mol
LogP4.01
Rot. Bonds2

About (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one

(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 18850682) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID18850682
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESC/C(=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-15(16-7-9-17(22)10-8-16)19-20(26)23-21(27-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3/b19-15-
InChIKeyISOZUKGPSIBSSG-CYVLTUHYSA-N
XLogP4.01
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
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

(5Z)-5-[1-(4-bromophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 18850685
5-[1,5-bis(4-fluorophenyl)-5-oxo-3-phenylpent-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 3695468
(5E)-5-[(4-methylphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 11976631
(5Z)-5-[(4-bromophenyl)methylidene]-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 21369718
1'-[(5E)-5-[1-(6-chloro-3-pyridinyl)ethylidene]-4-oxo-1,3-thiazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121335350
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one;hydrochloride
CID 171151414
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one
CID 18850674
2-(4-ethylpiperazin-1-yl)-5-[(4-fluorophenyl)methylidene]-1,3-thiazol-4-one
CID 3900496
[4-[[2-[4-(4-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzoate
CID 3819239
(5Z)-5-[1-(2-methyl-4-pyridinyl)ethylidene]-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3-thiazol-4-one
CID 130377551
(3S)-1-(4-fluorophenyl)-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 27153354

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one (CID 18850682) is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is C/C(=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O)c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is ISOZUKGPSIBSSG-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-15(16-7-9-17(22)10-8-16)19-20(26)23-21(27-19)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-10H,11-14H2,1H3/b19-15-.
What are the key properties of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one?
(5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 381.48 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 18850682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).