3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole

C11H15N5O2S2 — CID 166082146

IUPAC3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2ncc3n2CCN(S(C)(=O)=O)[C@@H]3C)n1
InChIInChI=1S/C11H15N5O2S2/c1-7-9-6-12-10(11-13-8(2)14-19-11)15(9)4-5-16(7)20(3,17)18/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHTCSAWIKIGLIAI-SSDOTTSWSA-N
MW313.41 g/mol
LogP1.05
Rot. Bonds2

About 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole

3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole (PubChem CID 166082146) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole
PubChem CID166082146
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole
SMILESCc1nsc(-c2ncc3n2CCN(S(C)(=O)=O)[C@@H]3C)n1
InChIInChI=1S/C11H15N5O2S2/c1-7-9-6-12-10(11-13-8(2)14-19-11)15(9)4-5-16(7)20(3,17)18/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyHTCSAWIKIGLIAI-SSDOTTSWSA-N
XLogP1.05
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole (CID 166082146) is 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole is Cc1nsc(-c2ncc3n2CCN(S(C)(=O)=O)[C@@H]3C)n1.
What is the InChIKey of 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole?
The InChIKey is HTCSAWIKIGLIAI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-7-9-6-12-10(11-13-8(2)14-19-11)15(9)4-5-16(7)20(3,17)18/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole?
3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole has a molecular weight of 313.41 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(8R)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 166082146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).