2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid

C13H21N3O2S — CID 81161780

IUPAC2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCC(C)(C)c1nsc(NCC2(CC(=O)O)CCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(5-4-6-13)7-9(17)18/h4-8H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyFQZVNNBYXYZFGE-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.89
Rot. Bonds5

About 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81161780) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81161780
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid
SMILESCC(C)(C)c1nsc(NCC2(CC(=O)O)CCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(5-4-6-13)7-9(17)18/h4-8H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyFQZVNNBYXYZFGE-UHFFFAOYSA-N
XLogP2.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid (CID 81161780) is 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid is CC(C)(C)c1nsc(NCC2(CC(=O)O)CCC2)n1.
What is the InChIKey of 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FQZVNNBYXYZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(5-4-6-13)7-9(17)18/h4-8H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 283.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81161780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).