ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate

C10H14N2O4S3 — CID 23760788

IUPACethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nsc(SCC(=O)OCC)n1
InChIInChI=1S/C10H14N2O4S3/c1-3-15-7(13)5-17-9-11-10(19-12-9)18-6-8(14)16-4-2/h3-6H2,1-2H3
InChIKeyAKNQRQCXTWNUCH-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.85
Rot. Bonds8

About ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate

ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate (PubChem CID 23760788) has the molecular formula C10H14N2O4S3 and a molecular weight of 322.43 g/mol. Its IUPAC name is ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
PubChem CID23760788
Molecular FormulaC10H14N2O4S3
Molecular Weight322.43 g/mol
Exact Mass322.01
IUPAC Nameethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
SMILESCCOC(=O)CSc1nsc(SCC(=O)OCC)n1
InChIInChI=1S/C10H14N2O4S3/c1-3-15-7(13)5-17-9-11-10(19-12-9)18-6-8(14)16-4-2/h3-6H2,1-2H3
InChIKeyAKNQRQCXTWNUCH-UHFFFAOYSA-N
XLogP1.85
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate with MolForge

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Related Compounds

ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
ethyl 2-(1,3-thiazol-2-ylsulfanyl)acetate
CID 60658748
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
ethyl 2-[[5-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 124537494
1-(4-methylphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone
CID 3962092
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
ethyl 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 55125151
ethyl 2-[[5-[[(2S)-2-aminopropanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 119264963
ethyl 2-[[5-[[(2R)-2-aminopropanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 119264987
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 21403843
ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
CID 45482820

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate?
The IUPAC name of ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate (CID 23760788) is ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate?
The canonical SMILES for ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate is CCOC(=O)CSc1nsc(SCC(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate?
The InChIKey is AKNQRQCXTWNUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S3/c1-3-15-7(13)5-17-9-11-10(19-12-9)18-6-8(14)16-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate?
ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate has a molecular weight of 322.43 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate is sourced from PubChem (CID 23760788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).