ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate

C7H10N2O2S2 — CID 43242914

IUPACethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
SMILESCCOC(=O)CCSc1nncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-6(10)3-4-12-7-9-8-5-13-7/h5H,2-4H2,1H3
InChIKeyQHNNJEKROKDVAM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.58
Rot. Bonds5

About ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate

ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate (PubChem CID 43242914) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
PubChem CID43242914
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Nameethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
SMILESCCOC(=O)CCSc1nncs1
InChIInChI=1S/C7H10N2O2S2/c1-2-11-6(10)3-4-12-7-9-8-5-13-7/h5H,2-4H2,1H3
InChIKeyQHNNJEKROKDVAM-UHFFFAOYSA-N
XLogP1.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 12474599
Ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 19839125
Ethyl 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 79357237
3-((1,3,4-Thiadiazol-2-yl)thio)dihydrofuran-2(3h)-one
CID 45793111
Methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 20646299
Methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 23006932
Ethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23514857
2-(1,3,4-Thiadiazol-2-ylsulfanyl)ethyl 2-methylpropanoate
CID 54325907
Ethyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 78912047
Ethyl 4-(1,3,4-thiadiazol-2-ylsulfanyl)butanoate
CID 90939166
Ethyl 2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 115382598
2,2-Dimethylpropyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 118910818

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The IUPAC name of ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate (CID 43242914) is ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate.
What is the SMILES notation for ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The canonical SMILES for ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate is CCOC(=O)CCSc1nncs1.
What is the InChIKey of ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The InChIKey is QHNNJEKROKDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-2-11-6(10)3-4-12-7-9-8-5-13-7/h5H,2-4H2,1H3.
What are the key properties of ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate has a molecular weight of 218.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 43242914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).