ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate

C10H15N5O2S — CID 66188847

IUPACethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(NCCN=[N+]=[N-])c1nccs1
InChIInChI=1S/C10H15N5O2S/c1-3-17-9(16)10(2,8-12-6-7-18-8)13-4-5-14-15-11/h6-7,13H,3-5H2,1-2H3
InChIKeyDYSNXIIPZHOCHI-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.82
Rot. Bonds7

About ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate

ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 66188847) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID66188847
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Nameethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)(NCCN=[N+]=[N-])c1nccs1
InChIInChI=1S/C10H15N5O2S/c1-3-17-9(16)10(2,8-12-6-7-18-8)13-4-5-14-15-11/h6-7,13H,3-5H2,1-2H3
InChIKeyDYSNXIIPZHOCHI-UHFFFAOYSA-N
XLogP1.82
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 66188847) is ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(C)(NCCN=[N+]=[N-])c1nccs1.
What is the InChIKey of ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is DYSNXIIPZHOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-17-9(16)10(2,8-12-6-7-18-8)13-4-5-14-15-11/h6-7,13H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate?
ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 269.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 66188847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).