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

C5H5FN2O2S3 — CID 115382626

IUPAC2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCSc1nnc(SC(F)C(=O)O)s1
InChIInChI=1S/C5H5FN2O2S3/c1-11-4-7-8-5(13-4)12-2(6)3(9)10/h2H,1H3,(H,9,10)
InChIKeySSGSSHGBPQSFSF-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.73
Rot. Bonds4

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

2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 115382626) has the molecular formula C5H5FN2O2S3 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
PubChem CID115382626
Molecular FormulaC5H5FN2O2S3
Molecular Weight240.31 g/mol
Exact Mass239.95
IUPAC Name2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCSc1nnc(SC(F)C(=O)O)s1
InChIInChI=1S/C5H5FN2O2S3/c1-11-4-7-8-5(13-4)12-2(6)3(9)10/h2H,1H3,(H,9,10)
InChIKeySSGSSHGBPQSFSF-UHFFFAOYSA-N
XLogP1.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (CID 115382626) is 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is CSc1nnc(SC(F)C(=O)O)s1.
What is the InChIKey of 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is SSGSSHGBPQSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S3/c1-11-4-7-8-5(13-4)12-2(6)3(9)10/h2H,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 240.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 115382626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).