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

C4H4N2O2S2 — CID 12634693

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nncs1
InChIInChI=1S/C4H4N2O2S2/c7-3(8)1-9-4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChIKeyDZXGDEPWZLFUEA-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.71
Rot. Bonds3

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

2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (PubChem CID 12634693) has the molecular formula C4H4N2O2S2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
PubChem CID12634693
Molecular FormulaC4H4N2O2S2
Molecular Weight176.22 g/mol
Exact Mass175.97
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)CSc1nncs1
InChIInChI=1S/C4H4N2O2S2/c7-3(8)1-9-4-6-5-2-10-4/h2H,1H2,(H,7,8)
InChIKeyDZXGDEPWZLFUEA-UHFFFAOYSA-N
XLogP0.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid
CID 16788783
Sbb039262
CID 4145504
2-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
CID 79357335
2,2-Difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
CID 81217359
2-Fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 115382626
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid
CID 12885433
2-[(5-Methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 20646233
Methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 23006932
2-(1,3,4-Thiadiazol-2-ylsulfinyl)acetic acid
CID 23335779
2-[(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid;silver
CID 88844040
2-[(5-Aminosulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
CID 89319469
4-(1,3,4-Thiadiazol-2-ylsulfanyl)butanoic acid
CID 20116586

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (CID 12634693) is 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid is O=C(O)CSc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The InChIKey is DZXGDEPWZLFUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2S2/c7-3(8)1-9-4-6-5-2-10-4/h2H,1H2,(H,7,8).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid has a molecular weight of 176.22 g/mol, XLogP of 0.71, 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)acetic acid is sourced from PubChem (CID 12634693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).