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

C12H12N2OS — CID 1221197

IUPAC(5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C12H12N2OS/c1-2-8-3-5-9(6-4-8)7-10-11(15)14-12(13)16-10/h3-7H,2H2,1H3,(H2,13,14,15)/b10-7-
InChIKeySBJXYXZYEIYNPM-YFHOEESVSA-N
MW232.31 g/mol
LogP2.18
Rot. Bonds2

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

(5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 1221197) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID1221197
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name(5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one
SMILESCCc1ccc(/C=C2\SC(N)=NC2=O)cc1
InChIInChI=1S/C12H12N2OS/c1-2-8-3-5-9(6-4-8)7-10-11(15)14-12(13)16-10/h3-7H,2H2,1H3,(H2,13,14,15)/b10-7-
InChIKeySBJXYXZYEIYNPM-YFHOEESVSA-N
XLogP2.18
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
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)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one (CID 1221197) is (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one is CCc1ccc(/C=C2\SC(N)=NC2=O)cc1.
What is the InChIKey of (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is SBJXYXZYEIYNPM-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-8-3-5-9(6-4-8)7-10-11(15)14-12(13)16-10/h3-7H,2H2,1H3,(H2,13,14,15)/b10-7-.
What are the key properties of (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 232.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(4-ethylphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1221197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).