2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

C8H6N2O3S2 — CID 29065772

IUPAC2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccsc2)o1
InChIInChI=1S/C8H6N2O3S2/c11-6(12)4-15-8-10-9-7(13-8)5-1-2-14-3-5/h1-3H,4H2,(H,11,12)
InChIKeyJCOUHAILTLOFKZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.97
Rot. Bonds4

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

2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (PubChem CID 29065772) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
PubChem CID29065772
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(-c2ccsc2)o1
InChIInChI=1S/C8H6N2O3S2/c11-6(12)4-15-8-10-9-7(13-8)5-1-2-14-3-5/h1-3H,4H2,(H,11,12)
InChIKeyJCOUHAILTLOFKZ-UHFFFAOYSA-N
XLogP1.97
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 60549085
2-[[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 65216105
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065644
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861528
2-[[5-(2,3,4-trifluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 79749730
2-[[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 29065783
2-[[5-(4-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 136812459
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 18582994

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid (CID 29065772) is 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is O=C(O)CSc1nnc(-c2ccsc2)o1.
What is the InChIKey of 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
The InChIKey is JCOUHAILTLOFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-6(12)4-15-8-10-9-7(13-8)5-1-2-14-3-5/h1-3H,4H2,(H,11,12).
What are the key properties of 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid?
2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid has a molecular weight of 242.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 29065772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).