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

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Related Compounds

2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 83631570
3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119820909
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 75379739
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
CID 154739812
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
CID 59446211
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 75379889

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).