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

C7H9N3O5S2 — CID 90408096

IUPACmethylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OS(C)(=O)=O)c1csc(N)n1
InChIInChI=1S/C7H9N3O5S2/c1-14-10-5(4-3-16-7(8)9-4)6(11)15-17(2,12)13/h3H,1-2H3,(H2,8,9)/b10-5-
InChIKeyREZAWBCHEOFOMP-YHYXMXQVSA-N
MW279.30 g/mol
LogP-0.42
Rot. Bonds4

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

methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (PubChem CID 90408096) has the molecular formula C7H9N3O5S2 and a molecular weight of 279.30 g/mol. Its IUPAC name is methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
PubChem CID90408096
Molecular FormulaC7H9N3O5S2
Molecular Weight279.30 g/mol
Exact Mass279.00
IUPAC Namemethylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
SMILESCO/N=C(\C(=O)OS(C)(=O)=O)c1csc(N)n1
InChIInChI=1S/C7H9N3O5S2/c1-14-10-5(4-3-16-7(8)9-4)6(11)15-17(2,12)13/h3H,1-2H3,(H2,8,9)/b10-5-
InChIKeyREZAWBCHEOFOMP-YHYXMXQVSA-N
XLogP-0.42
TPSA120.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromo 2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 174309981
[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]oxysulfonyloxymethylidene-dimethylazanium chloride
CID 11079252
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
(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
2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-1-hydroxyethanesulfonic acid
CID 172922618
methyl 2-(2-acetamido-1,3-thiazol-4-yl)-2-methoxyiminoacetate
CID 54179551
1-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-methoxy-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 164916050
ethyl (2Z)-3-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-3-oxopropanoate
CID 11777216
(2R,3R)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-(methylcarbamoyl)-4-oxoazetidine-1-sulfonic acid
CID 88627832
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169

Frequently Asked Questions

What is the IUPAC name of methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The IUPAC name of methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CID 90408096) is methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate.
What is the SMILES notation for methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The canonical SMILES for methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is CO/N=C(\C(=O)OS(C)(=O)=O)c1csc(N)n1.
What is the InChIKey of methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
The InChIKey is REZAWBCHEOFOMP-YHYXMXQVSA-N. The full InChI is InChI=1S/C7H9N3O5S2/c1-14-10-5(4-3-16-7(8)9-4)6(11)15-17(2,12)13/h3H,1-2H3,(H2,8,9)/b10-5-.
What are the key properties of methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?
methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate has a molecular weight of 279.30 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is sourced from PubChem (CID 90408096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).