(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one

C11H10N2O2S — CID 1368524

IUPAC(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)/b9-6-
InChIKeyVLWZKYOCVFKBBT-TWGQIWQCSA-N
MW234.28 g/mol
LogP1.62
Rot. Bonds2

About (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 1368524) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID1368524
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)/b9-6-
InChIKeyVLWZKYOCVFKBBT-TWGQIWQCSA-N
XLogP1.62
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one (CID 1368524) is (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(N)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is VLWZKYOCVFKBBT-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)/b9-6-.
What are the key properties of (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1368524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).