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

C7H10N2O2S2 — CID 66871749

IUPACethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1ncc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-6(10)4-12-7-9-3-5(8)13-7/h3H,2,4,8H2,1H3
InChIKeyJEZFXZYYRBYLFL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds4

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

ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate (PubChem CID 66871749) 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)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
PubChem CID66871749
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Nameethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1ncc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-6(10)4-12-7-9-3-5(8)13-7/h3H,2,4,8H2,1H3
InChIKeyJEZFXZYYRBYLFL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Ethyl 2-fluoro-2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 79357531
5-Acetamido-2-carboxymethylthio-1,3-thiazole
CID 21298296
Ethyl 2-(1,3-thiazol-5-ylamino)acetate
CID 22134920
2-[(5-Amino-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 66871960
Ethyl 3-[(5-amino-1,3-thiazol-2-yl)sulfanyl]propanoate
CID 66872086
2-Amino-thiazol-5-ylsulfanylacetic acid ethyl ester
CID 67050212
5-Aminothiazole 2-mercaptoacetic acid ethyl ester
CID 86611194
5-Aminothiazole 2-mercaptopropionic acid ethyl ester
CID 86611214
Ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate
CID 87185794
Ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylpropanoate
CID 87185968
Ethyl 2-(1,3-thiazol-5-ylsulfanyl)acetate
CID 90945413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate (CID 66871749) is ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate is CCOC(=O)CSc1ncc(N)s1.
What is the InChIKey of ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
The InChIKey is JEZFXZYYRBYLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-11-6(10)4-12-7-9-3-5(8)13-7/h3H,2,4,8H2,1H3.
What are the key properties of ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate?
ethyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate has a molecular weight of 218.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 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)sulfanyl]acetate is sourced from PubChem (CID 66871749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).