(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

C12H12N2O3S — CID 18529038

IUPAC(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCOc1ccc(/C=C2/SC(N)=NC2=O)c(O)c1
InChIInChI=1S/C12H12N2O3S/c1-2-17-8-4-3-7(9(15)6-8)5-10-11(16)14-12(13)18-10/h3-6,15H,2H2,1H3,(H2,13,14,16)/b10-5+
InChIKeyRRAMBEGOYIJQHY-BJMVGYQFSA-N
MW264.31 g/mol
LogP1.72
Rot. Bonds3

About (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 18529038) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID18529038
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCOc1ccc(/C=C2/SC(N)=NC2=O)c(O)c1
InChIInChI=1S/C12H12N2O3S/c1-2-17-8-4-3-7(9(15)6-8)5-10-11(16)14-12(13)18-10/h3-6,15H,2H2,1H3,(H2,13,14,16)/b10-5+
InChIKeyRRAMBEGOYIJQHY-BJMVGYQFSA-N
XLogP1.72
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (CID 18529038) is (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is CCOc1ccc(/C=C2/SC(N)=NC2=O)c(O)c1.
What is the InChIKey of (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is RRAMBEGOYIJQHY-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-2-17-8-4-3-7(9(15)6-8)5-10-11(16)14-12(13)18-10/h3-6,15H,2H2,1H3,(H2,13,14,16)/b10-5+.
What are the key properties of (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 18529038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).