3-propoxypyrazine-2-carbothioamide

C8H11N3OS — CID 62683968

IUPAC3-propoxypyrazine-2-carbothioamide
SMILESCCCOc1nccnc1C(N)=S
InChIInChI=1S/C8H11N3OS/c1-2-5-12-8-6(7(9)13)10-3-4-11-8/h3-4H,2,5H2,1H3,(H2,9,13)
InChIKeyDWRWYSFQUAUHHI-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.90
Rot. Bonds4

About 3-propoxypyrazine-2-carbothioamide

3-propoxypyrazine-2-carbothioamide (PubChem CID 62683968) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-propoxypyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-propoxypyrazine-2-carbothioamide
PubChem CID62683968
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name3-propoxypyrazine-2-carbothioamide
SMILESCCCOc1nccnc1C(N)=S
InChIInChI=1S/C8H11N3OS/c1-2-5-12-8-6(7(9)13)10-3-4-11-8/h3-4H,2,5H2,1H3,(H2,9,13)
InChIKeyDWRWYSFQUAUHHI-UHFFFAOYSA-N
XLogP0.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-propoxypyrazine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[di(propan-2-yl)amino]ethoxy]pyrazine-2-carbothioamide
CID 115505522
3-[3-(2-methoxyethoxy)propoxy]pyrazine-2-carbothioamide
CID 103402515
3-(2-methylpropoxy)pyrazine-2-carbothioamide
CID 62683960
3-propoxypyrazin-2-amine
CID 102987993
3-butoxypyrazine-2-carboximidamide
CID 62685425
3-(4-methylpentan-2-yloxy)pyrazine-2-carbothioamide
CID 62684466
3-(4-methylphenoxy)pyrazine-2-carbothioamide
CID 62684134
3-(4-methoxyphenoxy)pyrazine-2-carbothioamide
CID 55102710
5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
3-(dipropylamino)pyrazine-2-carbothioamide
CID 62685111
3-(2-propoxyethoxy)pyridazine-4-carbothioamide
CID 80512552
3-ethoxypyrazine-2-carboximidamide
CID 62685584

Frequently Asked Questions

What is the IUPAC name of 3-propoxypyrazine-2-carbothioamide?
The IUPAC name of 3-propoxypyrazine-2-carbothioamide (CID 62683968) is 3-propoxypyrazine-2-carbothioamide.
What is the SMILES notation for 3-propoxypyrazine-2-carbothioamide?
The canonical SMILES for 3-propoxypyrazine-2-carbothioamide is CCCOc1nccnc1C(N)=S.
What is the InChIKey of 3-propoxypyrazine-2-carbothioamide?
The InChIKey is DWRWYSFQUAUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-5-12-8-6(7(9)13)10-3-4-11-8/h3-4H,2,5H2,1H3,(H2,9,13).
What are the key properties of 3-propoxypyrazine-2-carbothioamide?
3-propoxypyrazine-2-carbothioamide has a molecular weight of 197.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxypyrazine-2-carbothioamide is sourced from PubChem (CID 62683968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).