N-(5-methylsulfanylpyrazin-2-yl)methanethioamide

C6H7N3S2 — CID 143883371

IUPACN-(5-methylsulfanylpyrazin-2-yl)methanethioamide
SMILESCSc1cnc(NC=S)cn1
InChIInChI=1S/C6H7N3S2/c1-11-6-3-7-5(2-8-6)9-4-10/h2-4H,1H3,(H,7,9,10)
InChIKeySPVUZDULWXPCOS-UHFFFAOYSA-N
MW185.28 g/mol
LogP1.57
Rot. Bonds3

About N-(5-methylsulfanylpyrazin-2-yl)methanethioamide

N-(5-methylsulfanylpyrazin-2-yl)methanethioamide (PubChem CID 143883371) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is N-(5-methylsulfanylpyrazin-2-yl)methanethioamide.

Molecular Properties

Compound NameN-(5-methylsulfanylpyrazin-2-yl)methanethioamide
PubChem CID143883371
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC NameN-(5-methylsulfanylpyrazin-2-yl)methanethioamide
SMILESCSc1cnc(NC=S)cn1
InChIInChI=1S/C6H7N3S2/c1-11-6-3-7-5(2-8-6)9-4-10/h2-4H,1H3,(H,7,9,10)
InChIKeySPVUZDULWXPCOS-UHFFFAOYSA-N
XLogP1.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-methylsulfanylpyrazin-2-yl)methanethioamide 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 N-(5-methylsulfanylpyrazin-2-yl)methanethioamide?
The IUPAC name of N-(5-methylsulfanylpyrazin-2-yl)methanethioamide (CID 143883371) is N-(5-methylsulfanylpyrazin-2-yl)methanethioamide.
What is the SMILES notation for N-(5-methylsulfanylpyrazin-2-yl)methanethioamide?
The canonical SMILES for N-(5-methylsulfanylpyrazin-2-yl)methanethioamide is CSc1cnc(NC=S)cn1.
What is the InChIKey of N-(5-methylsulfanylpyrazin-2-yl)methanethioamide?
The InChIKey is SPVUZDULWXPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S2/c1-11-6-3-7-5(2-8-6)9-4-10/h2-4H,1H3,(H,7,9,10).
What are the key properties of N-(5-methylsulfanylpyrazin-2-yl)methanethioamide?
N-(5-methylsulfanylpyrazin-2-yl)methanethioamide has a molecular weight of 185.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpyrazin-2-yl)methanethioamide is sourced from PubChem (CID 143883371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).