ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate

C10H14N4O2S — CID 114351866

IUPACethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nn2c(C)nnc2s1
InChIInChI=1S/C10H14N4O2S/c1-5-16-8(15)10(3,4)7-13-14-6(2)11-12-9(14)17-7/h5H2,1-4H3
InChIKeyORZAILJEYRRXSB-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.33
Rot. Bonds3

About ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate

ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate (PubChem CID 114351866) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate
PubChem CID114351866
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Nameethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate
SMILESCCOC(=O)C(C)(C)c1nn2c(C)nnc2s1
InChIInChI=1S/C10H14N4O2S/c1-5-16-8(15)10(3,4)7-13-14-6(2)11-12-9(14)17-7/h5H2,1-4H3
InChIKeyORZAILJEYRRXSB-UHFFFAOYSA-N
XLogP1.33
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate with MolForge

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Related Compounds

(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
ethyl 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)propanoate
CID 79471711
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
methyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401102
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
CID 110401028
ethyl 2-(2-bromo-1,3-thiazol-4-yl)-2-methylpropanoate
CID 137433439
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
CID 10797568
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
CID 110401126
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methylpropanoate
CID 86669542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate (CID 114351866) is ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate is CCOC(=O)C(C)(C)c1nn2c(C)nnc2s1.
What is the InChIKey of ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate?
The InChIKey is ORZAILJEYRRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-5-16-8(15)10(3,4)7-13-14-6(2)11-12-9(14)17-7/h5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate?
ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate has a molecular weight of 254.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoate is sourced from PubChem (CID 114351866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).