(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide

C11H14N6O5S3 — CID 23322455

IUPAC(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide
SMILESCO/N=C(\C(=O)NC1CN(C(=S)NS(C)(=O)=O)C1=O)c1csc(N)n1
InChIInChI=1S/C11H14N6O5S3/c1-22-15-7(6-4-24-10(12)14-6)8(18)13-5-3-17(9(5)19)11(23)16-25(2,20)21/h4-5H,3H2,1-2H3,(H2,12,14)(H,13,18)(H,16,23)/b15-7-
InChIKeyMJXMTVVUZUEDML-CHHVJCJISA-N
MW406.47 g/mol
LogP-1.76
Rot. Bonds5

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide (PubChem CID 23322455) has the molecular formula C11H14N6O5S3 and a molecular weight of 406.47 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide.

Molecular Properties

Compound Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide
PubChem CID23322455
Molecular FormulaC11H14N6O5S3
Molecular Weight406.47 g/mol
Exact Mass406.02
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide
SMILESCO/N=C(\C(=O)NC1CN(C(=S)NS(C)(=O)=O)C1=O)c1csc(N)n1
InChIInChI=1S/C11H14N6O5S3/c1-22-15-7(6-4-24-10(12)14-6)8(18)13-5-3-17(9(5)19)11(23)16-25(2,20)21/h4-5H,3H2,1-2H3,(H2,12,14)(H,13,18)(H,16,23)/b15-7-
InChIKeyMJXMTVVUZUEDML-CHHVJCJISA-N
XLogP-1.76
TPSA156.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

potassium (3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidine-1-sulfonate
CID 23680750
N-[[(3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidine-1-carbonyl]sulfamoyl]-2-oxo-3-(propan-2-ylideneamino)imidazolidine-1-carboxamide
CID 88661464
(3S)-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-N-[methyl-(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2-oxoazetidine-1-carboxamide
CID 88606923
potassium;2-[3-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-yl]oxyacetic acid;hydride
CID 173373425
2-[[2-[[1-(acetylsulfamoylcarbamoyl)-2-oxoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 54552918
2-[(Z)-[2-[[1-(acetylsulfamoylcarbamoyl)-2-oxoazetidin-3-yl]amino]-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 18608144
(3S)-1-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxo-N-sulfamoylazetidine-3-carboxamide
CID 88780329
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[5-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]acetamide
CID 139656936
(2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-6-propanoyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
CID 14973525
2-acetyl-3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 88627608
(2R)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-6-methoxycarbonyl-3-oxo-1,2,7,8-tetrahydropyrazolo[1,2-a]pyridazine-5-carboxylic acid
CID 14201993
3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]acetyl]amino]-2-oxoazetidine-1-sulfonic acid
CID 54424086

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide?
The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide (CID 23322455) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide.
What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide?
The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide is CO/N=C(\C(=O)NC1CN(C(=S)NS(C)(=O)=O)C1=O)c1csc(N)n1.
What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide?
The InChIKey is MJXMTVVUZUEDML-CHHVJCJISA-N. The full InChI is InChI=1S/C11H14N6O5S3/c1-22-15-7(6-4-24-10(12)14-6)8(18)13-5-3-17(9(5)19)11(23)16-25(2,20)21/h4-5H,3H2,1-2H3,(H2,12,14)(H,13,18)(H,16,23)/b15-7-.
What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide?
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide has a molecular weight of 406.47 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-N-[1-(methylsulfonylcarbamothioyl)-2-oxoazetidin-3-yl]acetamide is sourced from PubChem (CID 23322455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).