3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide

C7H11ClN4OS — CID 106279549

IUPAC3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nsnc1Cl)C(N)=O
InChIInChI=1S/C7H11ClN4OS/c1-7(2,6(9)13)3-10-5-4(8)11-14-12-5/h3H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyIHEKWRDGSRLLIZ-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.11
Rot. Bonds4

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

3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106279549) has the molecular formula C7H11ClN4OS and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide
PubChem CID106279549
Molecular FormulaC7H11ClN4OS
Molecular Weight234.71 g/mol
Exact Mass234.03
IUPAC Name3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nsnc1Cl)C(N)=O
InChIInChI=1S/C7H11ClN4OS/c1-7(2,6(9)13)3-10-5-4(8)11-14-12-5/h3H2,1-2H3,(H2,9,13)(H,10,12)
InChIKeyIHEKWRDGSRLLIZ-UHFFFAOYSA-N
XLogP1.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
2-[2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]ethoxy]acetamide
CID 106240109
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanamide
CID 106278171
3-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106279542
3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-dimethylpropanamide
CID 106277959
3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
CID 106279554
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
3-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)amino]-2,2-dimethylpropanamide
CID 106277533
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
4-amino-2,2-dimethylbutanamide
CID 23366310
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanamide
CID 104918906

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide (CID 106279549) is 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nsnc1Cl)C(N)=O.
What is the InChIKey of 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is IHEKWRDGSRLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4OS/c1-7(2,6(9)13)3-10-5-4(8)11-14-12-5/h3H2,1-2H3,(H2,9,13)(H,10,12).
What are the key properties of 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide?
3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 234.71 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).