7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

C13H13FN2O2S — CID 4912130

IUPAC7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1Cc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c14-10-4-2-1-3-9(10)5-15-6-12(17)16-8-19-7-11(16)13(15)18/h1-4,11H,5-8H2
InChIKeyQHDVURXDRXPFAI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds2

About 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 4912130) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID4912130
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1C2CSCN2C(=O)CN1Cc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c14-10-4-2-1-3-9(10)5-15-6-12(17)16-8-19-7-11(16)13(15)18/h1-4,11H,5-8H2
InChIKeyQHDVURXDRXPFAI-UHFFFAOYSA-N
XLogP1.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929487
7-[[3-(trifluoromethyl)phenyl]methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 4910947
4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 92886804
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(1-phenylethyl)benzamide
CID 46277163
3-tert-butyl-1-[(2-fluorophenyl)methyl]piperazine-2,5-dione
CID 64880585
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 46277155
2-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914409
1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709502
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
2-[(2-chlorophenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3775560
(3R,9R)-11-[(2-chlorophenyl)methyl]-5-thia-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56853354
(7aR)-6-benzyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 10060569

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 4912130) is 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1C2CSCN2C(=O)CN1Cc1ccccc1F.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is QHDVURXDRXPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-10-4-2-1-3-9(10)5-15-6-12(17)16-8-19-7-11(16)13(15)18/h1-4,11H,5-8H2.
What are the key properties of 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 280.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 4912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).