4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid

C10H12N2O3S2 — CID 79140420

IUPAC4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCCN2CCNC2=O)cs1
InChIInChI=1S/C10H12N2O3S2/c13-9(14)8-5-7(6-17-8)16-4-3-12-2-1-11-10(12)15/h5-6H,1-4H2,(H,11,15)(H,13,14)
InChIKeyZVVDRXWLMOFMFU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid

4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid (PubChem CID 79140420) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
PubChem CID79140420
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(SCCN2CCNC2=O)cs1
InChIInChI=1S/C10H12N2O3S2/c13-9(14)8-5-7(6-17-8)16-4-3-12-2-1-11-10(12)15/h5-6H,1-4H2,(H,11,15)(H,13,14)
InChIKeyZVVDRXWLMOFMFU-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149340
Piperazine;thiophene-2-carboxylic acid
CID 54602430
Ethane;pyrrolidine;thiophene-2-carboxylic acid
CID 156743865
4-(2-Pyrrolidin-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 55149640
4-(2-Acetamidoethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072204
4-[[2-(Ethylamino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61074184
4-[(3-Oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)sulfonyl]thiophene-2-carboxylic acid
CID 79096101
4-[2-(Cyclopentylcarbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79131687
4-[2-[Methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79132226
4-[2-(3-Methylbutylcarbamoylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79132660
4-[2-[[2-(Cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79132700
4-[2-(3-Carboxypropylamino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79139069

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid (CID 79140420) is 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid is O=C(O)c1cc(SCCN2CCNC2=O)cs1.
What is the InChIKey of 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid?
The InChIKey is ZVVDRXWLMOFMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c13-9(14)8-5-7(6-17-8)16-4-3-12-2-1-11-10(12)15/h5-6H,1-4H2,(H,11,15)(H,13,14).
What are the key properties of 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid?
4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79140420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).