2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid

C12H11N3O3S2 — CID 2739288

IUPAC2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C12H11N3O3S2/c16-11(6-19-7-12(17)18)13-9-3-1-8(2-4-9)10-5-20-15-14-10/h1-5H,6-7H2,(H,13,16)(H,17,18)
InChIKeyGADODXDIAINKIX-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid (PubChem CID 2739288) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
PubChem CID2739288
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C12H11N3O3S2/c16-11(6-19-7-12(17)18)13-9-3-1-8(2-4-9)10-5-20-15-14-10/h1-5H,6-7H2,(H,13,16)(H,17,18)
InChIKeyGADODXDIAINKIX-UHFFFAOYSA-N
XLogP1.96
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984393
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
2-[2-oxo-2-(thiophen-3-ylamino)ethyl]sulfanylacetic acid
CID 104570094
2-naphthalen-2-yloxy-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 55984946
2-[2-[4-(methoxycarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569386
2-(3-methoxyphenyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide
CID 154795771
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 115575099
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
1-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077826
1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 2796840
2,2-dimethyl-3-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 166249699

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid (CID 2739288) is 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid?
The InChIKey is GADODXDIAINKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c16-11(6-19-7-12(17)18)13-9-3-1-8(2-4-9)10-5-20-15-14-10/h1-5H,6-7H2,(H,13,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid has a molecular weight of 309.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(thiadiazol-4-yl)anilino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 2739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).