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

C13H10N4O2S — CID 11701947

IUPAC(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ncnc2ccc(/C=C3\SC(N)=NC3=O)cc12
InChIInChI=1S/C13H10N4O2S/c1-19-12-8-4-7(2-3-9(8)15-6-16-12)5-10-11(18)17-13(14)20-10/h2-6H,1H3,(H2,14,17,18)/b10-5-
InChIKeySKBCMSVIFMFFJT-YHYXMXQVSA-N
MW286.32 g/mol
LogP1.57
Rot. Bonds2

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

(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 11701947) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one
PubChem CID11701947
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one
SMILESCOc1ncnc2ccc(/C=C3\SC(N)=NC3=O)cc12
InChIInChI=1S/C13H10N4O2S/c1-19-12-8-4-7(2-3-9(8)15-6-16-12)5-10-11(18)17-13(14)20-10/h2-6H,1H3,(H2,14,17,18)/b10-5-
InChIKeySKBCMSVIFMFFJT-YHYXMXQVSA-N
XLogP1.57
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-amino-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
CID 76839176
2-amino-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 4589987
2-amino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 3768773
(5E)-2-amino-5-[(4-phenoxyquinolin-6-yl)methylidene]-1,3-thiazol-4-one
CID 11515780
2-amino-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2828980
6-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-propan-2-yloxyquinoline-3-carbonitrile
CID 73009367
(5Z)-2-amino-5-[[3-methoxy-4-(4-methoxyphenoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 58591638
(5E)-2-amino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2262638
(5E)-2-amino-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 1370496
acetic acid;(5E)-2-amino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 52997289
(5E)-2-amino-5-[(3-methylphenyl)methylidene]-1,3-thiazol-4-one
CID 2243866
2-amino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazol-4-one
CID 3110390

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one (CID 11701947) is (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one is COc1ncnc2ccc(/C=C3\SC(N)=NC3=O)cc12.
What is the InChIKey of (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is SKBCMSVIFMFFJT-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-19-12-8-4-7(2-3-9(8)15-6-16-12)5-10-11(18)17-13(14)20-10/h2-6H,1H3,(H2,14,17,18)/b10-5-.
What are the key properties of (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 286.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(4-methoxyquinazolin-6-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 11701947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).