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

C7H10N2O4S2 — CID 91546457

IUPACethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cncs1
InChIInChI=1S/C7H10N2O4S2/c1-2-13-6(10)3-9-15(11,12)7-4-8-5-14-7/h4-5,9H,2-3H2,1H3
InChIKeyOEAVQBKMLMTZLN-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.02
Rot. Bonds5

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

ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate (PubChem CID 91546457) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
PubChem CID91546457
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Nameethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate
SMILESCCOC(=O)CNS(=O)(=O)c1cncs1
InChIInChI=1S/C7H10N2O4S2/c1-2-13-6(10)3-9-15(11,12)7-4-8-5-14-7/h4-5,9H,2-3H2,1H3
InChIKeyOEAVQBKMLMTZLN-UHFFFAOYSA-N
XLogP-0.02
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate (CID 91546457) is ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate is CCOC(=O)CNS(=O)(=O)c1cncs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
The InChIKey is OEAVQBKMLMTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-2-13-6(10)3-9-15(11,12)7-4-8-5-14-7/h4-5,9H,2-3H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate?
ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate has a molecular weight of 250.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-5-ylsulfonylamino)acetate is sourced from PubChem (CID 91546457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).