2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid

C12H15N3O2S — CID 106678089

IUPAC2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid
SMILESCCC(CC)(Cc1nc2nccnc2s1)C(=O)O
InChIInChI=1S/C12H15N3O2S/c1-3-12(4-2,11(16)17)7-8-15-9-10(18-8)14-6-5-13-9/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyNNTUEOUJOQAZCA-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.52
Rot. Bonds5

About 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid

2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid (PubChem CID 106678089) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid
PubChem CID106678089
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid
SMILESCCC(CC)(Cc1nc2nccnc2s1)C(=O)O
InChIInChI=1S/C12H15N3O2S/c1-3-12(4-2,11(16)17)7-8-15-9-10(18-8)14-6-5-13-9/h5-6H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyNNTUEOUJOQAZCA-UHFFFAOYSA-N
XLogP2.52
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid 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

1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one
CID 106679426
2-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-ethylbutanoic acid
CID 43470941
N-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butan-2-amine
CID 106678195
4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine
CID 106678177
2-[(6-chloro-3-pyridinyl)methyl]-2-ethylbutanoic acid
CID 83067640
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
azane;2,2-diethylbutanoic acid
CID 173369262
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclohexane-1-carboxylate
CID 106678127
2-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)butanoic acid
CID 63268200
2-ethyl-2-[[[5-(methylsulfanylmethyl)-1,3-thiazol-2-yl]methylamino]methyl]butanoic acid
CID 122128230
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butanoic acid
CID 43471079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid?
The IUPAC name of 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid (CID 106678089) is 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid?
The canonical SMILES for 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid is CCC(CC)(Cc1nc2nccnc2s1)C(=O)O.
What is the InChIKey of 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid?
The InChIKey is NNTUEOUJOQAZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-12(4-2,11(16)17)7-8-15-9-10(18-8)14-6-5-13-9/h5-6H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid?
2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid has a molecular weight of 265.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid is sourced from PubChem (CID 106678089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).