1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one

C7H9N3O2S — CID 74007850

IUPAC1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
SMILESCON=C(C(C)=O)c1csc(N)n1
InChIInChI=1S/C7H9N3O2S/c1-4(11)6(10-12-2)5-3-13-7(8)9-5/h3H,1-2H3,(H2,8,9)
InChIKeyGLGKNHIKOGIYJV-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.66
Rot. Bonds3

About 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one

1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one (PubChem CID 74007850) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
PubChem CID74007850
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
SMILESCON=C(C(C)=O)c1csc(N)n1
InChIInChI=1S/C7H9N3O2S/c1-4(11)6(10-12-2)5-3-13-7(8)9-5/h3H,1-2H3,(H2,8,9)
InChIKeyGLGKNHIKOGIYJV-UHFFFAOYSA-N
XLogP0.66
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 53423102
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
1-(2-amino-1,3-thiazol-4-yl)-1-(hydroxymethylimino)propan-2-one
CID 76732272
cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 139881164
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
CID 143798534
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxopropoxyimino)acetamide
CID 89243139
2-acetyloxyimino-2-(2-amino-1,3-thiazol-4-yl)acetic acid;dihydrochloride
CID 173277547
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
(2Z)-2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetamide
CID 141367897

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one?
The IUPAC name of 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one (CID 74007850) is 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one?
The canonical SMILES for 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one is CON=C(C(C)=O)c1csc(N)n1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one?
The InChIKey is GLGKNHIKOGIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4(11)6(10-12-2)5-3-13-7(8)9-5/h3H,1-2H3,(H2,8,9).
What are the key properties of 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one?
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one has a molecular weight of 199.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one is sourced from PubChem (CID 74007850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).