5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione

C7H7N3S2 — CID 86091773

IUPAC5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
SMILESCc1nc2[nH]c(=S)sc2nc1C
InChIInChI=1S/C7H7N3S2/c1-3-4(2)9-6-5(8-3)10-7(11)12-6/h1-2H3,(H,8,10,11)
InChIKeyFYNQHIGJEJECHO-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.37
Rot. Bonds

About 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione

5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione (PubChem CID 86091773) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
PubChem CID86091773
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
SMILESCc1nc2[nH]c(=S)sc2nc1C
InChIInChI=1S/C7H7N3S2/c1-3-4(2)9-6-5(8-3)10-7(11)12-6/h1-2H3,(H,8,10,11)
InChIKeyFYNQHIGJEJECHO-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The IUPAC name of 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione (CID 86091773) is 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione.
What is the SMILES notation for 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The canonical SMILES for 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione is Cc1nc2[nH]c(=S)sc2nc1C.
What is the InChIKey of 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The InChIKey is FYNQHIGJEJECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-3-4(2)9-6-5(8-3)10-7(11)12-6/h1-2H3,(H,8,10,11).
What are the key properties of 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione has a molecular weight of 197.29 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione is sourced from PubChem (CID 86091773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).