methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate

C10H14N2O4S — CID 12613554

IUPACmethyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)C1N2C(=O)CNC(=O)C2SC1(C)C
InChIInChI=1S/C10H14N2O4S/c1-10(2)6(9(15)16-3)12-5(13)4-11-7(14)8(12)17-10/h6,8H,4H2,1-3H3,(H,11,14)
InChIKeyDAJBZXCFNJKSHP-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.66
Rot. Bonds1

About methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate

methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate (PubChem CID 12613554) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate
PubChem CID12613554
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)C1N2C(=O)CNC(=O)C2SC1(C)C
InChIInChI=1S/C10H14N2O4S/c1-10(2)6(9(15)16-3)12-5(13)4-11-7(14)8(12)17-10/h6,8H,4H2,1-3H3,(H,11,14)
InChIKeyDAJBZXCFNJKSHP-UHFFFAOYSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate 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

[(1-Oxo-hexahydro-pyrrolo[2,1-c][1,4]thiazine-4-carbonyl)-amino]-acetic acid methyl ester
CID 59159408
Methyl 2-(2,2,5,5-tetramethyl-3-(2-((piperidine-1-carbonothioyl)thio)acetyl)thiazolidine-4-carboxamido)acetate
CID 134818046
methyl (3R,6S,8aS)-5-oxo-6-[(2,2,2-trifluoroacetyl)amino]-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 11163176
Methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-4-methylsulfanylbutanoate
CID 314853
Butyl 1,1-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 12613550
Butyl 4-[(2-ethoxy-2-oxoethyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidine-2-carboxylate
CID 12613551
1,1-Dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylic acid
CID 12613552
2,2-Dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylic acid
CID 12613553
Methyl 3-(methylamino)-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate
CID 22894548
Methyl 3-amino-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]thiazine-6-carboxylate
CID 141845797
methyl (3R)-9-(2-methylpropanoyl)-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylate
CID 169318374
methyl (3R)-9-(2,2-dimethylpropanoyl)-1-thia-4,9-diazaspiro[4.5]decane-3-carboxylate
CID 169318562

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate (CID 12613554) is methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate is COC(=O)C1N2C(=O)CNC(=O)C2SC1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate?
The InChIKey is DAJBZXCFNJKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2)6(9(15)16-3)12-5(13)4-11-7(14)8(12)17-10/h6,8H,4H2,1-3H3,(H,11,14).
What are the key properties of methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate?
methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate has a molecular weight of 258.30 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-5,8-dioxo-3,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 12613554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).