3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide

C8H15N5OS — CID 106280408

IUPAC3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(N)ns1
InChIInChI=1S/C8H15N5OS/c1-8(2,5(14)10-3)4-11-7-12-6(9)13-15-7/h4H2,1-3H3,(H,10,14)(H3,9,11,12,13)
InChIKeyOVXPXHTUXGBMEW-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.30
Rot. Bonds4

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

3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280408) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280408
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(N)ns1
InChIInChI=1S/C8H15N5OS/c1-8(2,5(14)10-3)4-11-7-12-6(9)13-15-7/h4H2,1-3H3,(H,10,14)(H3,9,11,12,13)
InChIKeyOVXPXHTUXGBMEW-UHFFFAOYSA-N
XLogP0.30
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 104766887
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-cyclopropylpropan-2-ol
CID 130601713
1-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149684
3-[(5,6-diamino-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106275362
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
CID 106280433
3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280975
3-[(6-hydrazinylpyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280881
2-[2-[(3-amino-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106241467
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278880
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide (CID 106280408) is 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(N)ns1.
What is the InChIKey of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is OVXPXHTUXGBMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-8(2,5(14)10-3)4-11-7-12-6(9)13-15-7/h4H2,1-3H3,(H,10,14)(H3,9,11,12,13).
What are the key properties of 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide?
3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 229.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).