2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid

C9H13N3O4S — CID 65205050

IUPAC2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid
SMILESCC(C)(C)c1nnsc1C(=O)NOCC(=O)O
InChIInChI=1S/C9H13N3O4S/c1-9(2,3)7-6(17-12-10-7)8(15)11-16-4-5(13)14/h4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyZCMVODLDKJNYEA-UHFFFAOYSA-N
MW259.29 g/mol
LogP0.58
Rot. Bonds4

About 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid

2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid (PubChem CID 65205050) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid
PubChem CID65205050
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid
SMILESCC(C)(C)c1nnsc1C(=O)NOCC(=O)O
InChIInChI=1S/C9H13N3O4S/c1-9(2,3)7-6(17-12-10-7)8(15)11-16-4-5(13)14/h4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyZCMVODLDKJNYEA-UHFFFAOYSA-N
XLogP0.58
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid (CID 65205050) is 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid is CC(C)(C)c1nnsc1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The InChIKey is ZCMVODLDKJNYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-9(2,3)7-6(17-12-10-7)8(15)11-16-4-5(13)14/h4H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid?
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid has a molecular weight of 259.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 65205050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).