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

C8H13N3O2S — CID 87186035

IUPACethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1cnc(N)s1
InChIInChI=1S/C8H13N3O2S/c1-3-13-7(12)5-11(2)6-4-10-8(9)14-6/h4H,3,5H2,1-2H3,(H2,9,10)
InChIKeyQRODLQFUUJCMLU-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.72
Rot. Bonds4

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

ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate (PubChem CID 87186035) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
PubChem CID87186035
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1cnc(N)s1
InChIInChI=1S/C8H13N3O2S/c1-3-13-7(12)5-11(2)6-4-10-8(9)14-6/h4H,3,5H2,1-2H3,(H2,9,10)
InChIKeyQRODLQFUUJCMLU-UHFFFAOYSA-N
XLogP0.72
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate (CID 87186035) is ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate is CCOC(=O)CN(C)c1cnc(N)s1.
What is the InChIKey of ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate?
The InChIKey is QRODLQFUUJCMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-13-7(12)5-11(2)6-4-10-8(9)14-6/h4H,3,5H2,1-2H3,(H2,9,10).
What are the key properties of ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate?
ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate has a molecular weight of 215.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate is sourced from PubChem (CID 87186035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).