6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

C11H13N3O3S — CID 61299148

IUPAC6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCCN2CCNC2=O)nc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)8-1-2-9(13-7-8)18-6-5-14-4-3-12-11(14)17/h1-2,7H,3-6H2,(H,12,17)(H,15,16)
InChIKeyCIYJIEQKNIZDQA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.90
Rot. Bonds5

About 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid

6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 61299148) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
PubChem CID61299148
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCCN2CCNC2=O)nc1
InChIInChI=1S/C11H13N3O3S/c15-10(16)8-1-2-9(13-7-8)18-6-5-14-4-3-12-11(14)17/h1-2,7H,3-6H2,(H,12,17)(H,15,16)
InChIKeyCIYJIEQKNIZDQA-UHFFFAOYSA-N
XLogP0.90
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid (CID 61299148) is 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(SCCN2CCNC2=O)nc1.
What is the InChIKey of 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is CIYJIEQKNIZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10(16)8-1-2-9(13-7-8)18-6-5-14-4-3-12-11(14)17/h1-2,7H,3-6H2,(H,12,17)(H,15,16).
What are the key properties of 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid?
6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-oxoimidazolidin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61299148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).