2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid

C9H13N3O3S — CID 79807322

IUPAC2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-9(4-2,8(14)15)11-7(13)6-5-10-12-16-6/h5H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyUYKKOMJVORZWRQ-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.91
Rot. Bonds5

About 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid

2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid (PubChem CID 79807322) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
PubChem CID79807322
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)c1cnns1)C(=O)O
InChIInChI=1S/C9H13N3O3S/c1-3-9(4-2,8(14)15)11-7(13)6-5-10-12-16-6/h5H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyUYKKOMJVORZWRQ-UHFFFAOYSA-N
XLogP0.91
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-(pyrimidine-5-carbonylamino)butanoic acid
CID 102921592
2-[(5-chloropyrazine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 107371615
thiadiazole-5-carboxylic acid;hydrochloride
CID 70551277
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-ethylbutanoic acid
CID 79813521
(2S)-3-methyl-2-(thiadiazole-5-carbonylamino)pentanoic acid
CID 61172933
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-ethylbutanoic acid
CID 79806439
2-[(4-chloropyridine-3-carbonyl)amino]-2-ethylbutanoic acid
CID 114037008
N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
CID 65215720
N-(2,3-dihydroxy-2-methylpropyl)thiadiazole-5-carboxamide
CID 66171531
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
CID 43522681
2-[(4-aminobenzoyl)amino]-2-ethylbutanoic acid
CID 142416078

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid (CID 79807322) is 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid is CCC(CC)(NC(=O)c1cnns1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid?
The InChIKey is UYKKOMJVORZWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-3-9(4-2,8(14)15)11-7(13)6-5-10-12-16-6/h5H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid?
2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid has a molecular weight of 243.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(thiadiazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 79807322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).