7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

C12H12N2O2S — CID 13405266

IUPAC7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-11-6-13(9-4-2-1-3-5-9)12(16)10-7-17-8-14(10)11/h1-5,10H,6-8H2
InChIKeyXJYFQUFHOMGZGL-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.93
Rot. Bonds1

About 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 13405266) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID13405266
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-11-6-13(9-4-2-1-3-5-9)12(16)10-7-17-8-14(10)11/h1-5,10H,6-8H2
InChIKeyXJYFQUFHOMGZGL-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Felipyrine
CID 71108
1-(4-Fluorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione
CID 2854685
3-(2,3-Epithiopropyl)-1-(piperidinocarbonylmethyl)benzimidazol-2-one
CID 3283078
3-[4-[1-(4-Fluorophenyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10759394
N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 2848909
3-Methyl-5-(phenylamino)-1,3-thiazolidine-2,4-dione
CID 3155772
Dimethyl 3-[2-(4-phenylpiperazino)acetyl]-1,3-thiazolane-2,4-dicarboxylate
CID 4311186
3-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309485
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 5309642
(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
CID 2434368
5-(Ethylanilino)-1,3-thiazolidine-2,4-dione
CID 2864127
5-(Methylanilino)-1,3-thiazolidine-2,4-dione
CID 3119527

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 13405266) is 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C2CSCN2C(=O)CN1c1ccccc1.
What is the InChIKey of 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is XJYFQUFHOMGZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-11-6-13(9-4-2-1-3-5-9)12(16)10-7-17-8-14(10)11/h1-5,10H,6-8H2.
What are the key properties of 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 248.31 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 13405266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).