ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate

C8H12N2O4S2 — CID 123515160

IUPACethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cncs1
InChIInChI=1S/C8H12N2O4S2/c1-2-14-7(11)3-4-10-16(12,13)8-5-9-6-15-8/h5-6,10H,2-4H2,1H3
InChIKeyJGLSCZPVGIOTNQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.37
Rot. Bonds6

About ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate

ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate (PubChem CID 123515160) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate
PubChem CID123515160
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Nameethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cncs1
InChIInChI=1S/C8H12N2O4S2/c1-2-14-7(11)3-4-10-16(12,13)8-5-9-6-15-8/h5-6,10H,2-4H2,1H3
InChIKeyJGLSCZPVGIOTNQ-UHFFFAOYSA-N
XLogP0.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate?
The IUPAC name of ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate (CID 123515160) is ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate?
The canonical SMILES for ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate is CCOC(=O)CCNS(=O)(=O)c1cncs1.
What is the InChIKey of ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate?
The InChIKey is JGLSCZPVGIOTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-2-14-7(11)3-4-10-16(12,13)8-5-9-6-15-8/h5-6,10H,2-4H2,1H3.
What are the key properties of ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate?
ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate has a molecular weight of 264.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-thiazol-5-ylsulfonylamino)propanoate is sourced from PubChem (CID 123515160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).