ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate

C7H10N2O2S2 — CID 87185794

IUPACethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate
SMILESCCOC(=O)C(S)c1ncc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-7(10)5(12)6-9-3-4(8)13-6/h3,5,12H,2,8H2,1H3
InChIKeyICYJPXTUFVXURP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.26
Rot. Bonds3

About ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate

ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate (PubChem CID 87185794) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate
PubChem CID87185794
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Nameethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate
SMILESCCOC(=O)C(S)c1ncc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-7(10)5(12)6-9-3-4(8)13-6/h3,5,12H,2,8H2,1H3
InChIKeyICYJPXTUFVXURP-UHFFFAOYSA-N
XLogP1.26
TPSA65.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride
CID 91654387
Ethyl (1,3-thiazol-2-yl)acetate
CID 21835228
Acetoxyethylthiazole
CID 69634602
methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 25216257
Ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 115769441
Ethyl 2-methyl-2-(thiazol-2-yl)propanoate
CID 21099803
Ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 21835134
Propan-2-yl 2-(1,3-thiazol-2-yl)acetate
CID 53688128
Butyl 2-(1,3-thiazol-2-yl)acetate
CID 53762515
Ethyl 2-amino-2-(1,3-thiazol-2-yl)acetate
CID 53765876
Ethyl 2-(4-deuterio-1,3-thiazol-2-yl)acetate
CID 54168701
Ethyl 2-[(5-amino-2-thiazolyl)thio]acetate
CID 66871749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate?
The IUPAC name of ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate (CID 87185794) is ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate.
What is the SMILES notation for ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate?
The canonical SMILES for ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate is CCOC(=O)C(S)c1ncc(N)s1.
What is the InChIKey of ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate?
The InChIKey is ICYJPXTUFVXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-11-7(10)5(12)6-9-3-4(8)13-6/h3,5,12H,2,8H2,1H3.
What are the key properties of ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate?
ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate has a molecular weight of 218.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate is sourced from PubChem (CID 87185794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).