methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate

C6H8N2O4S2 — CID 90758859

IUPACmethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)c1cncs1
InChIInChI=1S/C6H8N2O4S2/c1-12-5(9)2-8-14(10,11)6-3-7-4-13-6/h3-4,8H,2H2,1H3
InChIKeyWHLQABCDXHNZHK-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.41
Rot. Bonds4

About methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate

methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate (PubChem CID 90758859) has the molecular formula C6H8N2O4S2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
PubChem CID90758859
Molecular FormulaC6H8N2O4S2
Molecular Weight236.27 g/mol
Exact Mass235.99
IUPAC Namemethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)c1cncs1
InChIInChI=1S/C6H8N2O4S2/c1-12-5(9)2-8-14(10,11)6-3-7-4-13-6/h3-4,8H,2H2,1H3
InChIKeyWHLQABCDXHNZHK-UHFFFAOYSA-N
XLogP-0.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate 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 methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The IUPAC name of methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate (CID 90758859) is methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate.
What is the SMILES notation for methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The canonical SMILES for methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate is COC(=O)CNS(=O)(=O)c1cncs1.
What is the InChIKey of methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The InChIKey is WHLQABCDXHNZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4S2/c1-12-5(9)2-8-14(10,11)6-3-7-4-13-6/h3-4,8H,2H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate has a molecular weight of 236.27 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate is sourced from PubChem (CID 90758859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).