2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid

C8H11N3O4S — CID 65204212

IUPAC2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid
SMILESCC(C)c1nnsc1C(=O)NOCC(=O)O
InChIInChI=1S/C8H11N3O4S/c1-4(2)6-7(16-11-9-6)8(14)10-15-3-5(12)13/h4H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyIGNKCYFSZHOZHW-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.41
Rot. Bonds5

About 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid

2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid (PubChem CID 65204212) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid
PubChem CID65204212
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid
SMILESCC(C)c1nnsc1C(=O)NOCC(=O)O
InChIInChI=1S/C8H11N3O4S/c1-4(2)6-7(16-11-9-6)8(14)10-15-3-5(12)13/h4H,3H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyIGNKCYFSZHOZHW-UHFFFAOYSA-N
XLogP0.41
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.41
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-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid (CID 65204212) is 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid is CC(C)c1nnsc1C(=O)NOCC(=O)O.
What is the InChIKey of 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid?
The InChIKey is IGNKCYFSZHOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-4(2)6-7(16-11-9-6)8(14)10-15-3-5(12)13/h4H,3H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid?
2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid has a molecular weight of 245.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 65204212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).