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

C13H12ClFN2O2S — CID 11908860

IUPAC(8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-9-2-1-3-10(15)8(9)4-16-5-12(18)17-7-20-6-11(17)13(16)19/h1-3,11H,4-7H2/t11-/m0/s1
InChIKeyQTVMAALIPLBQEF-NSHDSACASA-N
MW314.77 g/mol
LogP1.72
Rot. Bonds2

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

(8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 11908860) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name(8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
PubChem CID11908860
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name(8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SMILESO=C1[C@@H]2CSCN2C(=O)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c14-9-2-1-3-10(15)8(9)4-16-5-12(18)17-7-20-6-11(17)13(16)19/h1-3,11H,4-7H2/t11-/m0/s1
InChIKeyQTVMAALIPLBQEF-NSHDSACASA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8aR)-7-[(2-chloro-6-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-[3-(trifluoromethyl)benzyl]tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 11909677
(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
Methyl 7-(4-chlorobenzyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663601
3H-Thiazolo(3,4-a)pyrazine-5,8-dione, tetrahydro-7-(phenylmethyl)-
CID 4835028
(8aR)-7-[2-(3-fluorophenyl)ethyl]tetrahydro[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
CID 667362
2-(2-Chloro-6-fluorophenyl)-3-(2-methylcyclobutyl)-1,3-thiazolidin-4-one
CID 44583097
2-(2-Chloro-6-fluorophenyl)-3-(2-nitrocyclobutyl)-1,3-thiazolidin-4-one
CID 44583118
2-(2-Chloro-6-fluorophenyl)-3-(2,4-difluorocyclobutyl)-1,3-thiazolidin-4-one
CID 44583140
1-(3-fluorobenzyl)-4-{[(4R)-3-methyl-1,3-thiazolidin-4-yl]carbonyl}piperazine
CID 70715585
1-(3-chlorobenzyl)-4-{[(4R)-3-methyl-1,3-thiazolidin-4-yl]carbonyl}piperazine
CID 70739584
2-(2,6-Dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 71696996

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione (CID 11908860) is (8aR)-7-[(2-chloro-6-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-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is O=C1[C@@H]2CSCN2C(=O)CN1Cc1c(F)cccc1Cl.
What is the InChIKey of (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is QTVMAALIPLBQEF-NSHDSACASA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-9-2-1-3-10(15)8(9)4-16-5-12(18)17-7-20-6-11(17)13(16)19/h1-3,11H,4-7H2/t11-/m0/s1.
What are the key properties of (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione?
(8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 314.77 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(2-chloro-6-fluorophenyl)methyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 11908860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).