3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid

C11H17N3O3S — CID 65206184

IUPAC3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1snnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-6(10(16)17)5-12-9(15)7-8(11(2,3)4)13-14-18-7/h6H,5H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyHZDJEVITKSNDCN-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.29
Rot. Bonds4

About 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid

3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 65206184) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID65206184
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1snnc1C(C)(C)C)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-6(10(16)17)5-12-9(15)7-8(11(2,3)4)13-14-18-7/h6H,5H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyHZDJEVITKSNDCN-UHFFFAOYSA-N
XLogP1.29
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid (CID 65206184) is 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1snnc1C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is HZDJEVITKSNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(10(16)17)5-12-9(15)7-8(11(2,3)4)13-14-18-7/h6H,5H2,1-4H3,(H,12,15)(H,16,17).
What are the key properties of 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid?
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65206184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).