5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide

C10H14N4O2S — CID 81203585

IUPAC5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(N2CCOC(CO)C2)cn1
InChIInChI=1S/C10H14N4O2S/c11-10(17)8-3-13-9(4-12-8)14-1-2-16-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H2,11,17)
InChIKeyREHQKOYEZQBVDC-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.69
Rot. Bonds3

About 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide

5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide (PubChem CID 81203585) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
PubChem CID81203585
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(N2CCOC(CO)C2)cn1
InChIInChI=1S/C10H14N4O2S/c11-10(17)8-3-13-9(4-12-8)14-1-2-16-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H2,11,17)
InChIKeyREHQKOYEZQBVDC-UHFFFAOYSA-N
XLogP-0.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide?
The IUPAC name of 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide (CID 81203585) is 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide.
What is the SMILES notation for 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide?
The canonical SMILES for 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide is NC(=S)c1cnc(N2CCOC(CO)C2)cn1.
What is the InChIKey of 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide?
The InChIKey is REHQKOYEZQBVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c11-10(17)8-3-13-9(4-12-8)14-1-2-16-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H2,11,17).
What are the key properties of 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide?
5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide has a molecular weight of 254.31 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide is sourced from PubChem (CID 81203585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).