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

C10H17N3O2S — CID 65270522

IUPAC3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCc1nsc(N(CC)C(C)CC(=O)O)n1
InChIInChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-2)7(3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWNGLMQLQWDSEBH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.79
Rot. Bonds6

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

3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (PubChem CID 65270522) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
PubChem CID65270522
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCc1nsc(N(CC)C(C)CC(=O)O)n1
InChIInChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-2)7(3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWNGLMQLQWDSEBH-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The IUPAC name of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (CID 65270522) is 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is CCc1nsc(N(CC)C(C)CC(=O)O)n1.
What is the InChIKey of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The InChIKey is WNGLMQLQWDSEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-2)7(3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid has a molecular weight of 243.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 65270522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).