3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide

C12H19N3O2S — CID 79364484

IUPAC3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1snc(C)c1C(C)=O
InChIInChI=1S/C12H19N3O2S/c1-4-6-13-10(17)5-7-14-12-11(9(3)16)8(2)15-18-12/h14H,4-7H2,1-3H3,(H,13,17)
InChIKeyORQYPVYJFJFHEY-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.98
Rot. Bonds7

About 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide (PubChem CID 79364484) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
PubChem CID79364484
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1snc(C)c1C(C)=O
InChIInChI=1S/C12H19N3O2S/c1-4-6-13-10(17)5-7-14-12-11(9(3)16)8(2)15-18-12/h14H,4-7H2,1-3H3,(H,13,17)
InChIKeyORQYPVYJFJFHEY-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
CID 79363435
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375727
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 103360319
methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate
CID 103379325
1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375482
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375150
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
CID 65276904
ethyl 3-amino-5-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxylate
CID 103384111
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104
1-[5-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 83115553

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide (CID 79364484) is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1snc(C)c1C(C)=O.
What is the InChIKey of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is ORQYPVYJFJFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-6-13-10(17)5-7-14-12-11(9(3)16)8(2)15-18-12/h14H,4-7H2,1-3H3,(H,13,17).
What are the key properties of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide?
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 79364484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).