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

C5H6N2O2S3 — CID 20646233

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCSc1nnc(SCC(=O)O)s1
InChIInChI=1S/C5H6N2O2S3/c1-10-4-6-7-5(12-4)11-2-3(8)9/h2H2,1H3,(H,8,9)
InChIKeyXQZOMNYLQRHNIF-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.44
Rot. Bonds4

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

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 20646233) has the molecular formula C5H6N2O2S3 and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
PubChem CID20646233
Molecular FormulaC5H6N2O2S3
Molecular Weight222.32 g/mol
Exact Mass221.96
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILESCSc1nnc(SCC(=O)O)s1
InChIInChI=1S/C5H6N2O2S3/c1-10-4-6-7-5(12-4)11-2-3(8)9/h2H2,1H3,(H,8,9)
InChIKeyXQZOMNYLQRHNIF-UHFFFAOYSA-N
XLogP1.44
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
CID 589580
2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid
CID 12634693
2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid
CID 16788783
Sbb039262
CID 4145504
S,S'-(1,3,4-thiadiazole-2,5-diyl)bis(2-mercaptopropionic acid)
CID 21298329
2-Fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 115382626
2,2-Difluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 115382635
Silver 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 21562055
2-[(5-Hydroxysulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 58721449
2-[(5-Hydroxysulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 58721450
2-[(5-Sulfido-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 58721452
2-[(5-Sulfino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 58721472

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (CID 20646233) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is CSc1nnc(SCC(=O)O)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is XQZOMNYLQRHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S3/c1-10-4-6-7-5(12-4)11-2-3(8)9/h2H2,1H3,(H,8,9).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 222.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 20646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).