2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid

C5H6N2O2S2 — CID 16788783

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESCC(Sc1nncs1)C(=O)O
InChIInChI=1S/C5H6N2O2S2/c1-3(4(8)9)11-5-7-6-2-10-5/h2-3H,1H3,(H,8,9)
InChIKeySFHYUQDITCVKIT-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.10
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid

2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (PubChem CID 16788783) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
PubChem CID16788783
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
SMILESCC(Sc1nncs1)C(=O)O
InChIInChI=1S/C5H6N2O2S2/c1-3(4(8)9)11-5-7-6-2-10-5/h2-3H,1H3,(H,8,9)
InChIKeySFHYUQDITCVKIT-UHFFFAOYSA-N
XLogP1.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid
CID 12634693
Methyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 12474599
S,S'-(1,3,4-thiadiazole-2,5-diyl)bis(2-mercaptopropionic acid)
CID 21298329
4,4,4-Trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butanoic acid
CID 63099106
2-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
CID 79357335
3,3,3-Trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propanoic acid
CID 80997490
2,2-Difluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
CID 165466473
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid
CID 12885433
2-Methyl-1,3,4-thiadiazol-5-ylsulfinylacetic acid
CID 20297126
2-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 20646233
2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanedioic acid
CID 21298303
Methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 23006932

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid (CID 16788783) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is CC(Sc1nncs1)C(=O)O.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
The InChIKey is SFHYUQDITCVKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-3(4(8)9)11-5-7-6-2-10-5/h2-3H,1H3,(H,8,9).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid?
2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid has a molecular weight of 190.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 16788783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).