2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid

C9H15N3O2S — CID 65267839

IUPAC2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1nc(C)ns1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-5-12(9(3,4)7(13)14)8-10-6(2)11-15-8/h5H2,1-4H3,(H,13,14)
InChIKeyIFMAZZCHFMRZBR-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.54
Rot. Bonds4

About 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid

2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid (PubChem CID 65267839) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
PubChem CID65267839
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1nc(C)ns1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-5-12(9(3,4)7(13)14)8-10-6(2)11-15-8/h5H2,1-4H3,(H,13,14)
InChIKeyIFMAZZCHFMRZBR-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid (CID 65267839) is 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid is CCN(c1nc(C)ns1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid?
The InChIKey is IFMAZZCHFMRZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5-12(9(3,4)7(13)14)8-10-6(2)11-15-8/h5H2,1-4H3,(H,13,14).
What are the key properties of 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65267839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).