(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C10H14N4OS — CID 75368558

IUPAC(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(Cc3nccs3)CCN12
InChIInChI=1S/C10H14N4OS/c15-10-12-5-8-6-13(2-3-14(8)10)7-9-11-1-4-16-9/h1,4,8H,2-3,5-7H2,(H,12,15)/t8-/m0/s1
InChIKeyJLGLJVVATCQMBH-QMMMGPOBSA-N
MW238.32 g/mol
LogP0.35
Rot. Bonds2

About (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75368558) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75368558
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@H]2CN(Cc3nccs3)CCN12
InChIInChI=1S/C10H14N4OS/c15-10-12-5-8-6-13(2-3-14(8)10)7-9-11-1-4-16-9/h1,4,8H,2-3,5-7H2,(H,12,15)/t8-/m0/s1
InChIKeyJLGLJVVATCQMBH-QMMMGPOBSA-N
XLogP0.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75368558) is (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NC[C@H]2CN(Cc3nccs3)CCN12.
What is the InChIKey of (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is JLGLJVVATCQMBH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-10-12-5-8-6-13(2-3-14(8)10)7-9-11-1-4-16-9/h1,4,8H,2-3,5-7H2,(H,12,15)/t8-/m0/s1.
What are the key properties of (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 238.32 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(1,3-thiazol-2-ylmethyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).