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

C15H11N3O2S — CID 118719689

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(c3cnccn3)=NC2=O)cc1
InChIInChI=1S/C15H11N3O2S/c1-20-11-4-2-10(3-5-11)8-13-14(19)18-15(21-13)12-9-16-6-7-17-12/h2-9H,1H3/b13-8-
InChIKeyNZYRUZWTAXQKNI-JYRVWZFOSA-N
MW297.34 g/mol
LogP2.55
Rot. Bonds3

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

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one (PubChem CID 118719689) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one
PubChem CID118719689
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one
SMILESCOc1ccc(/C=C2\SC(c3cnccn3)=NC2=O)cc1
InChIInChI=1S/C15H11N3O2S/c1-20-11-4-2-10(3-5-11)8-13-14(19)18-15(21-13)12-9-16-6-7-17-12/h2-9H,1H3/b13-8-
InChIKeyNZYRUZWTAXQKNI-JYRVWZFOSA-N
XLogP2.55
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.55
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one (CID 118719689) is (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one is COc1ccc(/C=C2\SC(c3cnccn3)=NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one?
The InChIKey is NZYRUZWTAXQKNI-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-20-11-4-2-10(3-5-11)8-13-14(19)18-15(21-13)12-9-16-6-7-17-12/h2-9H,1H3/b13-8-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one has a molecular weight of 297.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyrazin-2-yl-1,3-thiazol-4-one is sourced from PubChem (CID 118719689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).