2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one

C10H9N3OS2 — CID 82376389

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
SMILESCc1nc(C2Nc3cscc3NC2=O)cs1
InChIInChI=1S/C10H9N3OS2/c1-5-11-8(4-16-5)9-10(14)13-7-3-15-2-6(7)12-9/h2-4,9,12H,1H3,(H,13,14)
InChIKeyBXNBWWCZDFBGRU-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.62
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one

2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one (PubChem CID 82376389) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
PubChem CID82376389
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
SMILESCc1nc(C2Nc3cscc3NC2=O)cs1
InChIInChI=1S/C10H9N3OS2/c1-5-11-8(4-16-5)9-10(14)13-7-3-15-2-6(7)12-9/h2-4,9,12H,1H3,(H,13,14)
InChIKeyBXNBWWCZDFBGRU-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one (CID 82376389) is 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one is Cc1nc(C2Nc3cscc3NC2=O)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
The InChIKey is BXNBWWCZDFBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c1-5-11-8(4-16-5)9-10(14)13-7-3-15-2-6(7)12-9/h2-4,9,12H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one?
2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one has a molecular weight of 251.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one is sourced from PubChem (CID 82376389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).