2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid

C12H11N3O4S — CID 104569206

IUPAC2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C12H11N3O4S/c16-10(5-20-6-11(17)18)14-9-3-1-2-8(4-9)12-15-13-7-19-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18)
InChIKeyIUYPTVGVLJFWGH-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid

2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569206) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569206
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C12H11N3O4S/c16-10(5-20-6-11(17)18)14-9-3-1-2-8(4-9)12-15-13-7-19-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18)
InChIKeyIUYPTVGVLJFWGH-UHFFFAOYSA-N
XLogP1.49
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 30823439
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 51644587
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 63141616
3-(2,4-difluorophenoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 75404395
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid (CID 104569206) is 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is IUYPTVGVLJFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-10(5-20-6-11(17)18)14-9-3-1-2-8(4-9)12-15-13-7-19-12/h1-4,7H,5-6H2,(H,14,16)(H,17,18).
What are the key properties of 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 293.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).