3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide

C9H12N4O2S2 — CID 62683934

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H12N4O2S2/c10-8(16)7-9(12-2-1-11-7)13-3-5-17(14,15)6-4-13/h1-2H,3-6H2,(H2,10,16)
InChIKeyQQLQGQMGDZMDSE-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.65
Rot. Bonds2

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide (PubChem CID 62683934) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide
PubChem CID62683934
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide
SMILESNC(=S)c1nccnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H12N4O2S2/c10-8(16)7-9(12-2-1-11-7)13-3-5-17(14,15)6-4-13/h1-2H,3-6H2,(H2,10,16)
InChIKeyQQLQGQMGDZMDSE-UHFFFAOYSA-N
XLogP-0.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide (CID 62683934) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide is NC(=S)c1nccnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide?
The InChIKey is QQLQGQMGDZMDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c10-8(16)7-9(12-2-1-11-7)13-3-5-17(14,15)6-4-13/h1-2H,3-6H2,(H2,10,16).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide has a molecular weight of 272.35 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazine-2-carbothioamide is sourced from PubChem (CID 62683934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).