ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate

C7H10N2O2S2 — CID 67050212

IUPACethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate
SMILESCCOC(=O)C(N)Sc1cncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-7(10)6(8)13-5-3-9-4-12-5/h3-4,6H,2,8H2,1H3
InChIKeyYHQWBMKFDDKREY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate

ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate (PubChem CID 67050212) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate
PubChem CID67050212
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Nameethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate
SMILESCCOC(=O)C(N)Sc1cncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-7(10)6(8)13-5-3-9-4-12-5/h3-4,6H,2,8H2,1H3
InChIKeyYHQWBMKFDDKREY-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate?
The IUPAC name of ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate (CID 67050212) is ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate is CCOC(=O)C(N)Sc1cncs1.
What is the InChIKey of ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate?
The InChIKey is YHQWBMKFDDKREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-11-7(10)6(8)13-5-3-9-4-12-5/h3-4,6H,2,8H2,1H3.
What are the key properties of ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate?
ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate has a molecular weight of 218.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(1,3-thiazol-5-ylsulfanyl)acetate is sourced from PubChem (CID 67050212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).