2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid

C10H15N3O3S — CID 115429586

IUPAC2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-3-10(4-2,9(15)16)6-11-8(14)7-5-12-17-13-7/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyHAUDLYUYHXLDQF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.16
Rot. Bonds6

About 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid

2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid (PubChem CID 115429586) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
PubChem CID115429586
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1cnsn1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-3-10(4-2,9(15)16)6-11-8(14)7-5-12-17-13-7/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyHAUDLYUYHXLDQF-UHFFFAOYSA-N
XLogP1.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid (CID 115429586) is 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid is CCC(CC)(CNC(=O)c1cnsn1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid?
The InChIKey is HAUDLYUYHXLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-10(4-2,9(15)16)6-11-8(14)7-5-12-17-13-7/h5H,3-4,6H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid?
2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1,2,5-thiadiazole-3-carbonylamino)methyl]butanoic acid is sourced from PubChem (CID 115429586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).