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

C6H5N3S2 — CID 135319501

IUPAC6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
SMILESCc1cnc2[nH]c(=S)sc2n1
InChIInChI=1S/C6H5N3S2/c1-3-2-7-4-5(8-3)11-6(10)9-4/h2H,1H3,(H,7,9,10)
InChIKeyGRPNSNFGYATLMM-UHFFFAOYSA-N
MW183.26 g/mol
LogP2.06
Rot. Bonds

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

6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione (PubChem CID 135319501) has the molecular formula C6H5N3S2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione.

Molecular Properties

Compound Name6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
PubChem CID135319501
Molecular FormulaC6H5N3S2
Molecular Weight183.26 g/mol
Exact Mass182.99
IUPAC Name6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione
SMILESCc1cnc2[nH]c(=S)sc2n1
InChIInChI=1S/C6H5N3S2/c1-3-2-7-4-5(8-3)11-6(10)9-4/h2H,1H3,(H,7,9,10)
InChIKeyGRPNSNFGYATLMM-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 52.06
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 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The IUPAC name of 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione (CID 135319501) is 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione.
What is the SMILES notation for 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The canonical SMILES for 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione is Cc1cnc2[nH]c(=S)sc2n1.
What is the InChIKey of 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
The InChIKey is GRPNSNFGYATLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S2/c1-3-2-7-4-5(8-3)11-6(10)9-4/h2H,1H3,(H,7,9,10).
What are the key properties of 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione?
6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione has a molecular weight of 183.26 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-[1,3]thiazolo[4,5-b]pyrazine-2-thione is sourced from PubChem (CID 135319501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).