methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

C7H11N3O4S2 — CID 86630193

IUPACmethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C7H11N3O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3,(H2,8,9)
InChIKeyRZLZGTDQNYYAHR-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.48
Rot. Bonds4

About methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (PubChem CID 86630193) has the molecular formula C7H11N3O4S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
PubChem CID86630193
Molecular FormulaC7H11N3O4S2
Molecular Weight265.32 g/mol
Exact Mass265.02
IUPAC Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C7H11N3O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3,(H2,8,9)
InChIKeyRZLZGTDQNYYAHR-UHFFFAOYSA-N
XLogP-0.48
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]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-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (CID 86630193) is methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is COC(=O)CN(C)S(=O)(=O)c1cnc(N)s1.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is RZLZGTDQNYYAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S2/c1-10(4-5(11)14-2)16(12,13)6-3-9-7(8)15-6/h3H,4H2,1-2H3,(H2,8,9).
What are the key properties of methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 265.32 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 86630193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).