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

C13H13FN2O2S — CID 11909720

IUPAC(8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=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/t11-/m0/s1
InChIKeyQHDVURXDRXPFAI-NSHDSACASA-N
MW280.32 g/mol
LogP1.07
Rot. Bonds2

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

(8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 11909720) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID11909720
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name(8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=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/t11-/m0/s1
InChIKeyQHDVURXDRXPFAI-NSHDSACASA-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 (8aR)-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

(8aR)-7-(2-chloro-6-fluorobenzyl)tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11908860
(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
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
Methyl 7-benzyl-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663602
(R)-7-(4-Fluoro-benzyl)-tetrahydro-thiazolo[3,4-a]pyrazine-5,8-dione
CID 7005445
Methyl 7-(4-fluorobenzyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 3423896
2-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
CID 23775657
N-benzyl-3-methyl-1,3-thiazolidine-4-carboxamide
CID 10243204
2,4-Thiazolidinedione, 3-[(4-fluorophenyl)methyl]-
CID 2291588
3-(2-Fluorobenzyl)-1,3-thiazolidine-2,4-dione
CID 3157072
4-Oxo-2-phenyl-3-thiazolidineacetamide
CID 10633556

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 11909720) is (8aR)-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 (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1[C@@H]2CSCN2C(=O)CN1Cc1ccccc1F.
What is the InChIKey of (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is QHDVURXDRXPFAI-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
(8aR)-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 (8aR)-7-[(2-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 11909720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).