7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H16N4OS2 — CID 75515098

IUPAC7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(Cc3cnc(-c4cccs4)s3)CCN12
InChIInChI=1S/C14H16N4OS2/c19-14-16-6-10-8-17(3-4-18(10)14)9-11-7-15-13(21-11)12-2-1-5-20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,16,19)
InChIKeyNIYLEHNAGKLJHF-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.08
Rot. Bonds3

About 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75515098) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75515098
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NCC2CN(Cc3cnc(-c4cccs4)s3)CCN12
InChIInChI=1S/C14H16N4OS2/c19-14-16-6-10-8-17(3-4-18(10)14)9-11-7-15-13(21-11)12-2-1-5-20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,16,19)
InChIKeyNIYLEHNAGKLJHF-UHFFFAOYSA-N
XLogP2.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75515098) is 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NCC2CN(Cc3cnc(-c4cccs4)s3)CCN12.
What is the InChIKey of 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is NIYLEHNAGKLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-14-16-6-10-8-17(3-4-18(10)14)9-11-7-15-13(21-11)12-2-1-5-20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,16,19).
What are the key properties of 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 320.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75515098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).