ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate

C8H13N3O4S2 — CID 86629880

IUPACethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C8H13N3O4S2/c1-2-15-6(12)3-4-11-17(13,14)7-5-10-8(9)16-7/h5,11H,2-4H2,1H3,(H2,9,10)
InChIKeyMKEKYOZQJSFNBB-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.04
Rot. Bonds6

About ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate

ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate (PubChem CID 86629880) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
PubChem CID86629880
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Nameethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate
SMILESCCOC(=O)CCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C8H13N3O4S2/c1-2-15-6(12)3-4-11-17(13,14)7-5-10-8(9)16-7/h5,11H,2-4H2,1H3,(H2,9,10)
InChIKeyMKEKYOZQJSFNBB-UHFFFAOYSA-N
XLogP-0.04
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-propyl-1,3-thiazole-5-sulfonamide
CID 87417017
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
CID 91812348
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872614
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
ethyl 3-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]propanoate
CID 80741913
methyl 6-[(3-ethoxy-3-oxopropyl)sulfamoyl]pyrazine-2-carboxylate
CID 138015253
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
CID 87186035
ethyl 3-[[4-(aminomethyl)phenyl]sulfonylamino]propanoate
CID 69157083

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate (CID 86629880) is ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate is CCOC(=O)CCNS(=O)(=O)c1cnc(N)s1.
What is the InChIKey of ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate?
The InChIKey is MKEKYOZQJSFNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-2-15-6(12)3-4-11-17(13,14)7-5-10-8(9)16-7/h5,11H,2-4H2,1H3,(H2,9,10).
What are the key properties of ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate?
ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate has a molecular weight of 279.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-1,3-thiazol-5-yl)sulfonylamino]propanoate is sourced from PubChem (CID 86629880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).