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

C18H16FN3OS2 — CID 35791000

IUPAC(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3OS2/c19-13-6-4-12(5-7-13)17-20-14(11-24-17)10-15-16(23)21-18(25-15)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2/b15-10-
InChIKeyPOYSUCMGTXWKHE-GDNBJRDFSA-N
MW373.48 g/mol
LogP4.41
Rot. Bonds2

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

(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 35791000) has the molecular formula C18H16FN3OS2 and a molecular weight of 373.48 g/mol. Its IUPAC name is (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID35791000
Molecular FormulaC18H16FN3OS2
Molecular Weight373.48 g/mol
Exact Mass373.07
IUPAC Name(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3OS2/c19-13-6-4-12(5-7-13)17-20-14(11-24-17)10-15-16(23)21-18(25-15)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2/b15-10-
InChIKeyPOYSUCMGTXWKHE-GDNBJRDFSA-N
XLogP4.41
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.41
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'}

Analyze (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 35791000) is (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)S/C1=C\c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is POYSUCMGTXWKHE-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H16FN3OS2/c19-13-6-4-12(5-7-13)17-20-14(11-24-17)10-15-16(23)21-18(25-15)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2/b15-10-.
What are the key properties of (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 35791000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).