4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid

C8H11N3O3S — CID 62032092

IUPAC4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C8H11N3O3S/c1-11(4-2-3-7(12)13)8(14)6-5-15-10-9-6/h5H,2-4H2,1H3,(H,12,13)
InChIKeyXESMOFIFYOWMCY-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.47
Rot. Bonds5

About 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid

4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid (PubChem CID 62032092) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid
PubChem CID62032092
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1csnn1
InChIInChI=1S/C8H11N3O3S/c1-11(4-2-3-7(12)13)8(14)6-5-15-10-9-6/h5H,2-4H2,1H3,(H,12,13)
InChIKeyXESMOFIFYOWMCY-UHFFFAOYSA-N
XLogP0.47
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid (CID 62032092) is 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1csnn1.
What is the InChIKey of 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid?
The InChIKey is XESMOFIFYOWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-11(4-2-3-7(12)13)8(14)6-5-15-10-9-6/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid?
4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiadiazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62032092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).