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

C8H13N3O2S — CID 87186034

IUPACethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc(N)s1
InChIInChI=1S/C8H13N3O2S/c1-2-13-7(12)5-10-3-6-4-11-8(9)14-6/h4,10H,2-3,5H2,1H3,(H2,9,11)
InChIKeyWULVPNCBJDMJHO-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.38
Rot. Bonds5

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 87186034) 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 CID87186034
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cnc(N)s1
InChIInChI=1S/C8H13N3O2S/c1-2-13-7(12)5-10-3-6-4-11-8(9)14-6/h4,10H,2-3,5H2,1H3,(H2,9,11)
InChIKeyWULVPNCBJDMJHO-UHFFFAOYSA-N
XLogP0.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
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 87186034) 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)CNCc1cnc(N)s1.
What is the InChIKey of ethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]acetate?
The InChIKey is WULVPNCBJDMJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-13-7(12)5-10-3-6-4-11-8(9)14-6/h4,10H,2-3,5H2,1H3,(H2,9,11).
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 0.38, 5 rotatable bonds, 2 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 87186034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).