N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide

C11H19N3OS — CID 58563930

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-10(2,3)7-12-9(16-14-7)13-8(15)11(4,5)6/h1-6H3,(H,12,13,14,15)
InChIKeyADUYNDQSLIALBR-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.82
Rot. Bonds1

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 58563930) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide
PubChem CID58563930
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-10(2,3)7-12-9(16-14-7)13-8(15)11(4,5)6/h1-6H3,(H,12,13,14,15)
InChIKeyADUYNDQSLIALBR-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-methyl(1,2,4-thiadiazol-5-yl))butanamide
CID 16455953
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pent-4-enamide
CID 132374555
3,3,3-trifluoro-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 132322154
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-fluoroprop-2-enamide
CID 167934126
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 20719844
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
Methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458527
N-(3-ethyl-1,2,4-thiadiazol-5-yl)acetamide
CID 21688984
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)hexanamide
CID 57911698
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 58563878
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methylpropanamide
CID 67953148

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide (CID 58563930) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is ADUYNDQSLIALBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-10(2,3)7-12-9(16-14-7)13-8(15)11(4,5)6/h1-6H3,(H,12,13,14,15).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 58563930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).