3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one

C6H5N3OS — CID 130251014

IUPAC3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one
SMILESCn1c(=O)sc2nccnc21
InChIInChI=1S/C6H5N3OS/c1-9-4-5(11-6(9)10)8-3-2-7-4/h2-3H,1H3
InChIKeyFZJPDZLRVCCCPY-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.39
Rot. Bonds

About 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one

3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one (PubChem CID 130251014) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one
PubChem CID130251014
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one
SMILESCn1c(=O)sc2nccnc21
InChIInChI=1S/C6H5N3OS/c1-9-4-5(11-6(9)10)8-3-2-7-4/h2-3H,1H3
InChIKeyFZJPDZLRVCCCPY-UHFFFAOYSA-N
XLogP0.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one (CID 130251014) is 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one is Cn1c(=O)sc2nccnc21.
What is the InChIKey of 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one?
The InChIKey is FZJPDZLRVCCCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-9-4-5(11-6(9)10)8-3-2-7-4/h2-3H,1H3.
What are the key properties of 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one?
3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one has a molecular weight of 167.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,3]thiazolo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 130251014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).