3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione

C8H7N3S2 — CID 137209864

IUPAC3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione
SMILESCc1cc(-c2ncc[nH]c2=S)sn1
InChIInChI=1S/C8H7N3S2/c1-5-4-6(13-11-5)7-8(12)10-3-2-9-7/h2-4H,1H3,(H,10,12)
InChIKeyVFPQIYHGQWVWKQ-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.57
Rot. Bonds1

About 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione

3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione (PubChem CID 137209864) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione
PubChem CID137209864
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione
SMILESCc1cc(-c2ncc[nH]c2=S)sn1
InChIInChI=1S/C8H7N3S2/c1-5-4-6(13-11-5)7-8(12)10-3-2-9-7/h2-4H,1H3,(H,10,12)
InChIKeyVFPQIYHGQWVWKQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylquinolin-6-yl)-1H-pyrazine-2-thione
CID 106519588
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
CID 106520172
3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
CID 106514930
3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
CID 130705892
methyl 4-methyl-3-(2-sulfanylidene-1H-pyrazin-3-yl)thiophene-2-carboxylate
CID 106522822
3-(4-propylphenyl)-1H-pyrazine-2-thione
CID 106517221
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
3-pyridin-3-yl-1H-pyrazine-2-thione
CID 106513816
3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
CID 106516084
5-methyl-3-(3-methyl-1,2-thiazol-5-yl)pyridin-2-amine
CID 130641777

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione (CID 137209864) is 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione is Cc1cc(-c2ncc[nH]c2=S)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione?
The InChIKey is VFPQIYHGQWVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c1-5-4-6(13-11-5)7-8(12)10-3-2-9-7/h2-4H,1H3,(H,10,12).
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione?
3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione has a molecular weight of 209.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)-1H-pyrazine-2-thione is sourced from PubChem (CID 137209864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).