(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one

C18H11NO2S — CID 59842927

IUPAC(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2csc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C18H11NO2S/c20-18-15-9-5-4-8-14(15)16(21-18)10-13-11-22-17(19-13)12-6-2-1-3-7-12/h1-11H/b16-10-
InChIKeyLSDFRFNFVASRIE-YBEGLDIGSA-N
MW305.36 g/mol
LogP4.48
Rot. Bonds2

About (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one

(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one (PubChem CID 59842927) has the molecular formula C18H11NO2S and a molecular weight of 305.36 g/mol. Its IUPAC name is (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one
PubChem CID59842927
Molecular FormulaC18H11NO2S
Molecular Weight305.36 g/mol
Exact Mass305.05
IUPAC Name(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2csc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C18H11NO2S/c20-18-15-9-5-4-8-14(15)16(21-18)10-13-11-22-17(19-13)12-6-2-1-3-7-12/h1-11H/b16-10-
InChIKeyLSDFRFNFVASRIE-YBEGLDIGSA-N
XLogP4.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-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 (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one (CID 59842927) is (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2csc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one?
The InChIKey is LSDFRFNFVASRIE-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H11NO2S/c20-18-15-9-5-4-8-14(15)16(21-18)10-13-11-22-17(19-13)12-6-2-1-3-7-12/h1-11H/b16-10-.
What are the key properties of (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one has a molecular weight of 305.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 59842927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).