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

C19H18N2O2S — CID 3074210

IUPAC7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)C2CSCN12
InChIInChI=1S/C19H18N2O2S/c22-18-16-12-24-13-21(16)19(23)17(15-9-5-2-6-10-15)20(18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyNEZMKIKFSDFPIN-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.67
Rot. Bonds3

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

7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 3074210) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID3074210
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)C2CSCN12
InChIInChI=1S/C19H18N2O2S/c22-18-16-12-24-13-21(16)19(23)17(15-9-5-2-6-10-15)20(18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyNEZMKIKFSDFPIN-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

10b-phenyl-3,4-dihydro-2H-[1,3]thiazino[2,3-a]isoindol-6-one
CID 455109
N-[1-(4-benzoylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 4963699
(8aR)-7-[3-(trifluoromethyl)benzyl]tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11909677
3H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-7-(3-(4-(diphenylmethyl)-1-piperazinyl)propyl)-
CID 3074211
3-(Benzylsulfanyl)-N-cyclohexyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 15945575
1-((3S,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-phenylethanone
CID 44418430
1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-2-phenylethanone
CID 44418431
(R)-7-(4-Fluoro-benzyl)-tetrahydro-thiazolo[3,4-a]pyrazine-5,8-dione
CID 7005445
(8aR)-7-(2-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11909720
RS 0481
CID 5747899
Penicillin deriv. 50
CID 455008
(4R)-2-phenyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 54584177

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 3074210) is 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C(c2ccccc2)N(Cc2ccccc2)C(=O)C2CSCN12.
What is the InChIKey of 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is NEZMKIKFSDFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-18-16-12-24-13-21(16)19(23)17(15-9-5-2-6-10-15)20(18)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2.
What are the key properties of 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 338.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 3074210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).