2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid

C13H21N3O2S — CID 82763069

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1nsc(NC2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)9-15-11(19-16-9)14-8-6-5-7-13(8,4)10(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyJGOQBRYNCQZQNW-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763069) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763069
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)c1nsc(NC2CCCC2(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O2S/c1-12(2,3)9-15-11(19-16-9)14-8-6-5-7-13(8,4)10(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyJGOQBRYNCQZQNW-UHFFFAOYSA-N
XLogP2.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763069) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid is CC(C)(C)c1nsc(NC2CCCC2(C)C(=O)O)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JGOQBRYNCQZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-12(2,3)9-15-11(19-16-9)14-8-6-5-7-13(8,4)10(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 283.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).