ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate

C9H13N3O5S2 — CID 18935573

IUPACethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N/OC)c1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C9H13N3O5S2/c1-4-17-8(13)7(11-16-2)6-5-18-9(10-6)12-19(3,14)15/h5H,4H2,1-3H3,(H,10,12)/b11-7+
InChIKeyOEYODLCZSAZKAI-YRNVUSSQSA-N
MW307.35 g/mol
LogP0.43
Rot. Bonds6

About ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate

ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 18935573) has the molecular formula C9H13N3O5S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID18935573
Molecular FormulaC9H13N3O5S2
Molecular Weight307.35 g/mol
Exact Mass307.03
IUPAC Nameethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)/C(=N/OC)c1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C9H13N3O5S2/c1-4-17-8(13)7(11-16-2)6-5-18-9(10-6)12-19(3,14)15/h5H,4H2,1-3H3,(H,10,12)/b11-7+
InChIKeyOEYODLCZSAZKAI-YRNVUSSQSA-N
XLogP0.43
TPSA106.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 18935573) is ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CCOC(=O)/C(=N/OC)c1csc(NS(C)(=O)=O)n1.
What is the InChIKey of ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is OEYODLCZSAZKAI-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H13N3O5S2/c1-4-17-8(13)7(11-16-2)6-5-18-9(10-6)12-19(3,14)15/h5H,4H2,1-3H3,(H,10,12)/b11-7+.
What are the key properties of ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate has a molecular weight of 307.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 18935573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).