N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride

C13H24ClN3O2S — CID 119655506

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-10-7-19-12(18)16(10)6-5-11(17)15(4)9-13(2,3)8-14;/h7H,5-6,8-9,14H2,1-4H3;1H
InChIKeyNCQOSAMHCPXUFB-UHFFFAOYSA-N
MW321.87 g/mol
LogP1.47
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride (PubChem CID 119655506) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
PubChem CID119655506
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
SMILESCc1csc(=O)n1CCC(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-10-7-19-12(18)16(10)6-5-11(17)15(4)9-13(2,3)8-14;/h7H,5-6,8-9,14H2,1-4H3;1H
InChIKeyNCQOSAMHCPXUFB-UHFFFAOYSA-N
XLogP1.47
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 79291135
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35622101
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111336234
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 55580900
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113476055
2-methyl-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 62819547
2-[cyclopropyl-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]amino]propanoic acid
CID 122067047
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119654576

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride (CID 119655506) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride is Cc1csc(=O)n1CCC(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
The InChIKey is NCQOSAMHCPXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c1-10-7-19-12(18)16(10)6-5-11(17)15(4)9-13(2,3)8-14;/h7H,5-6,8-9,14H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119655506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).