2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one

C15H13N3O2S — CID 76839176

IUPAC2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
SMILESCCOc1ccnc2ccc(C=C3SC(N)=NC3=O)cc12
InChIInChI=1S/C15H13N3O2S/c1-2-20-12-5-6-17-11-4-3-9(7-10(11)12)8-13-14(19)18-15(16)21-13/h3-8H,2H2,1H3,(H2,16,18,19)
InChIKeySLOBPQCWMPAEJA-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one

2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 76839176) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
PubChem CID76839176
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
SMILESCCOc1ccnc2ccc(C=C3SC(N)=NC3=O)cc12
InChIInChI=1S/C15H13N3O2S/c1-2-20-12-5-6-17-11-4-3-9(7-10(11)12)8-13-14(19)18-15(16)21-13/h3-8H,2H2,1H3,(H2,16,18,19)
InChIKeySLOBPQCWMPAEJA-UHFFFAOYSA-N
XLogP2.56
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
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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Related Compounds

(5E)-2-amino-5-[(4-phenoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
CID 11515780
5-[(4-ethoxyquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 76839177
(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one
CID 11701947
ethyl 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]acetate
CID 16634310
(5Z)-2-amino-5-[[4-[2-(4-fluorophenyl)ethoxy]quinolin-6-yl]methylidene]-1,3-thiazol-4-one;2-amino-1,3-thiazol-4-one;4-[2-(4-fluorophenyl)ethoxy]quinoline-6-carbaldehyde
CID 159467762
(5Z)-2-amino-5-[[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazol-4-one
CID 5350313
(5Z)-2-amino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 96867367
(5Z)-2-amino-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-1,3-thiazol-4-one
CID 1369204
2-amino-5-[[3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 2895575
2-amino-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 4589987
5-[(4-ethoxyquinolin-6-yl)methylidene]-2-[(1R)-2-hydroxy-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 136631016
(5E)-2-amino-5-[(4-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 18529038

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one (CID 76839176) is 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one is CCOc1ccnc2ccc(C=C3SC(N)=NC3=O)cc12.
What is the InChIKey of 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is SLOBPQCWMPAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-12-5-6-17-11-4-3-9(7-10(11)12)8-13-14(19)18-15(16)21-13/h3-8H,2H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one?
2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 299.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 76839176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).