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

C11H20N4OS — CID 65271116

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)12-7-6-8(16)15(4)5/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyTWGRMZLTHGSZCC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.73
Rot. Bonds4

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

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide (PubChem CID 65271116) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide
PubChem CID65271116
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)12-7-6-8(16)15(4)5/h6-7H2,1-5H3,(H,12,13,14)
InChIKeyTWGRMZLTHGSZCC-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide (CID 65271116) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is TWGRMZLTHGSZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-11(2,3)9-13-10(17-14-9)12-7-6-8(16)15(4)5/h6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 65271116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).