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

C7H9FN2O2S3 — CID 115382638

IUPACethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nnc(SC)s1
InChIInChI=1S/C7H9FN2O2S3/c1-3-12-5(11)4(8)14-7-10-9-6(13-2)15-7/h4H,3H2,1-2H3
InChIKeyHCAYWKUHUFUFPB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.21
Rot. Bonds5

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

ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 115382638) has the molecular formula C7H9FN2O2S3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID115382638
Molecular FormulaC7H9FN2O2S3
Molecular Weight268.36 g/mol
Exact Mass267.98
IUPAC Nameethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCCOC(=O)C(F)Sc1nnc(SC)s1
InChIInChI=1S/C7H9FN2O2S3/c1-3-12-5(11)4(8)14-7-10-9-6(13-2)15-7/h4H,3H2,1-2H3
InChIKeyHCAYWKUHUFUFPB-UHFFFAOYSA-N
XLogP2.21
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 115382638) is ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is CCOC(=O)C(F)Sc1nnc(SC)s1.
What is the InChIKey of ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is HCAYWKUHUFUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S3/c1-3-12-5(11)4(8)14-7-10-9-6(13-2)15-7/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 268.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 115382638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).