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

C16H17FN2OS — CID 24761375

IUPAC(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3ccccc3F)S2)CC1
InChIInChI=1S/C16H17FN2OS/c1-11-6-8-19(9-7-11)16-18-15(20)14(21-16)10-12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3/b14-10-
InChIKeyYWNBQTQLVGWYJQ-UVTDQMKNSA-N
MW304.39 g/mol
LogP3.53
Rot. Bonds1

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

(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (PubChem CID 24761375) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
PubChem CID24761375
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3ccccc3F)S2)CC1
InChIInChI=1S/C16H17FN2OS/c1-11-6-8-19(9-7-11)16-18-15(20)14(21-16)10-12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3/b14-10-
InChIKeyYWNBQTQLVGWYJQ-UVTDQMKNSA-N
XLogP3.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one (CID 24761375) is (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is CC1CCN(C2=NC(=O)/C(=C/c3ccccc3F)S2)CC1.
What is the InChIKey of (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
The InChIKey is YWNBQTQLVGWYJQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-6-8-19(9-7-11)16-18-15(20)14(21-16)10-12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3/b14-10-.
What are the key properties of (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one?
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one has a molecular weight of 304.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-fluorophenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 24761375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).