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

C10H17N3O2S — CID 65273610

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCC(Nc1nc(C(C)(C)C)ns1)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-5-6(7(14)15)11-9-12-8(13-16-9)10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyILBYHYDXRMJNSR-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.11
Rot. Bonds4

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

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (PubChem CID 65273610) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
PubChem CID65273610
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
SMILESCCC(Nc1nc(C(C)(C)C)ns1)C(=O)O
InChIInChI=1S/C10H17N3O2S/c1-5-6(7(14)15)11-9-12-8(13-16-9)10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13)
InChIKeyILBYHYDXRMJNSR-UHFFFAOYSA-N
XLogP2.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.11
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]butanoic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid (CID 65273610) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid is CCC(Nc1nc(C(C)(C)C)ns1)C(=O)O.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
The InChIKey is ILBYHYDXRMJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5-6(7(14)15)11-9-12-8(13-16-9)10(2,3)4/h6H,5H2,1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid has a molecular weight of 243.33 g/mol, XLogP of 2.11, 4 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]butanoic acid is sourced from PubChem (CID 65273610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).