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

C7H10N2O2S2 — CID 152688417

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
SMILESCC(=O)OCCSc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-5(10)11-2-3-12-6-4-9-7(8)13-6/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyZPBJIIXTXXUVDV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds4

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

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate (PubChem CID 152688417) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
PubChem CID152688417
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
SMILESCC(=O)OCCSc1cnc(N)s1
InChIInChI=1S/C7H10N2O2S2/c1-5(10)11-2-3-12-6-4-9-7(8)13-6/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyZPBJIIXTXXUVDV-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate (CID 152688417) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate is CC(=O)OCCSc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate?
The InChIKey is ZPBJIIXTXXUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-5(10)11-2-3-12-6-4-9-7(8)13-6/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl 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 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate is sourced from PubChem (CID 152688417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).