5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide

C13H13N3O2S — CID 107712486

IUPAC5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(Oc2ccccc2CCO)cn1
InChIInChI=1S/C13H13N3O2S/c14-13(19)10-7-16-12(8-15-10)18-11-4-2-1-3-9(11)5-6-17/h1-4,7-8,17H,5-6H2,(H2,14,19)
InChIKeyUONPTYSXXJBIRZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.44
Rot. Bonds5

About 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide

5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide (PubChem CID 107712486) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide
PubChem CID107712486
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(Oc2ccccc2CCO)cn1
InChIInChI=1S/C13H13N3O2S/c14-13(19)10-7-16-12(8-15-10)18-11-4-2-1-3-9(11)5-6-17/h1-4,7-8,17H,5-6H2,(H2,14,19)
InChIKeyUONPTYSXXJBIRZ-UHFFFAOYSA-N
XLogP1.44
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5-(aminomethyl)pyrazin-2-yl]oxyphenyl]ethanol
CID 107711701
6-[2-(2-hydroxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 107712774
2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
3-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbothioamide
CID 107712501
2-[2-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]phenyl]ethanol
CID 107712729
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548640
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
2-(2-pyrido[2,3-b]pyrazin-6-yloxyphenyl)ethanol
CID 107713779
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarbothioamide
CID 107712511
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide?
The IUPAC name of 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide (CID 107712486) is 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide?
The canonical SMILES for 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide is NC(=S)c1cnc(Oc2ccccc2CCO)cn1.
What is the InChIKey of 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide?
The InChIKey is UONPTYSXXJBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c14-13(19)10-7-16-12(8-15-10)18-11-4-2-1-3-9(11)5-6-17/h1-4,7-8,17H,5-6H2,(H2,14,19).
What are the key properties of 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide?
5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide has a molecular weight of 275.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)phenoxy]pyrazine-2-carbothioamide is sourced from PubChem (CID 107712486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).