ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate

C7H11N3O2S2 — CID 62189308

IUPACethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nnsc1N
InChIInChI=1S/C7H11N3O2S2/c1-2-12-6(11)4-13-3-5-7(8)14-10-9-5/h2-4,8H2,1H3
InChIKeyQFPDTNLEHMMYGP-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.92
Rot. Bonds5

About ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate

ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate (PubChem CID 62189308) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate
PubChem CID62189308
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Nameethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate
SMILESCCOC(=O)CSCc1nnsc1N
InChIInChI=1S/C7H11N3O2S2/c1-2-12-6(11)4-13-3-5-7(8)14-10-9-5/h2-4,8H2,1H3
InChIKeyQFPDTNLEHMMYGP-UHFFFAOYSA-N
XLogP0.92
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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[1-amino-2-(2-ethoxy-2-oxoethyl)sulfanylethylidene]azanium chloride
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S-ethyl 5-aminothiadiazole-4-carbothioate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate (CID 62189308) is ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate is CCOC(=O)CSCc1nnsc1N.
What is the InChIKey of ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate?
The InChIKey is QFPDTNLEHMMYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-2-12-6(11)4-13-3-5-7(8)14-10-9-5/h2-4,8H2,1H3.
What are the key properties of ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate?
ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate has a molecular weight of 233.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 62189308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).