2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide

C11H20N4OS — CID 119344847

IUPAC2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-10(2,3)9-15-14-7(17-9)6-13-8(16)11(4,5)12/h6,12H2,1-5H3,(H,13,16)
InChIKeyHUSCDJQNNNYATJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide

2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide (PubChem CID 119344847) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
PubChem CID119344847
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H20N4OS/c1-10(2,3)9-15-14-7(17-9)6-13-8(16)11(4,5)12/h6,12H2,1-5H3,(H,13,16)
InChIKeyHUSCDJQNNNYATJ-UHFFFAOYSA-N
XLogP1.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide (CID 119344847) is 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide is CC(C)(N)C(=O)NCc1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide?
The InChIKey is HUSCDJQNNNYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-10(2,3)9-15-14-7(17-9)6-13-8(16)11(4,5)12/h6,12H2,1-5H3,(H,13,16).
What are the key properties of 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide?
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 119344847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).