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

C9H13N3O5S2 — CID 54146823

IUPACethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)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)
InChIKeyOEYODLCZSAZKAI-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.43
Rot. Bonds6

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

ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (PubChem CID 54146823) has the molecular formula C9H13N3O5S2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
PubChem CID54146823
Molecular FormulaC9H13N3O5S2
Molecular Weight307.35 g/mol
Exact Mass307.03
IUPAC Nameethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)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)
InChIKeyOEYODLCZSAZKAI-UHFFFAOYSA-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'}

Analyze ethyl 2-[2-(methanesulfonamido)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate (CID 54146823) is ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1csc(NS(C)(=O)=O)n1.
What is the InChIKey of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
The InChIKey is OEYODLCZSAZKAI-UHFFFAOYSA-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).
What are the key properties of ethyl 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate?
ethyl 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 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 54146823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).