bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C6H6BrN3O3S — CID 174309981

IUPACbromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OBr)c1csc(N)n1
InChIInChI=1S/C6H6BrN3O3S/c1-12-10-4(5(11)13-7)3-2-14-6(8)9-3/h2H,1H3,(H2,8,9)
InChIKeyVLKYJQJLARHKCH-UHFFFAOYSA-N
MW280.10 g/mol
LogP0.93
Rot. Bonds3

About bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 174309981) has the molecular formula C6H6BrN3O3S and a molecular weight of 280.10 g/mol. Its IUPAC name is bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namebromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
PubChem CID174309981
Molecular FormulaC6H6BrN3O3S
Molecular Weight280.10 g/mol
Exact Mass278.93
IUPAC Namebromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCON=C(C(=O)OBr)c1csc(N)n1
InChIInChI=1S/C6H6BrN3O3S/c1-12-10-4(5(11)13-7)3-2-14-6(8)9-3/h2H,1H3,(H2,8,9)
InChIKeyVLKYJQJLARHKCH-UHFFFAOYSA-N
XLogP0.93
TPSA86.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 90408096
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioic S-acid;benzene
CID 174852867
cyclopentyl 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 139881164
[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]oxysulfonyloxymethylidene-dimethylazanium chloride
CID 11079252
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methylpropan-2-yl)oxyimino]acetate
CID 14865019
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
ethyl (2Z)-3-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-3-oxopropanoate
CID 11777216
formic acid;4-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,3-thiazol-2-amine
CID 143798534
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 164916050

Frequently Asked Questions

What is the IUPAC name of bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The IUPAC name of bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 174309981) is bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CON=C(C(=O)OBr)c1csc(N)n1.
What is the InChIKey of bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The InChIKey is VLKYJQJLARHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O3S/c1-12-10-4(5(11)13-7)3-2-14-6(8)9-3/h2H,1H3,(H2,8,9).
What are the key properties of bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 280.10 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 174309981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).