N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride

C17H24Cl2N4O3S — CID 119421203

IUPACN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
SMILESCOc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1.Cl.Cl
InChIInChI=1S/C17H22N4O3S.2ClH/c1-17(2,3)15(23)21-16-19-10(9-25-16)7-14(22)20-13-8-11(24-4)5-6-12(13)18;;/h5-6,8-9H,7,18H2,1-4H3,(H,20,22)(H,19,21,23);2*1H
InChIKeyUSOURHQVWXDYSZ-UHFFFAOYSA-N
MW435.38 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride

N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride (PubChem CID 119421203) has the molecular formula C17H24Cl2N4O3S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
PubChem CID119421203
Molecular FormulaC17H24Cl2N4O3S
Molecular Weight435.38 g/mol
Exact Mass434.09
IUPAC NameN-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
SMILESCOc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1.Cl.Cl
InChIInChI=1S/C17H22N4O3S.2ClH/c1-17(2,3)15(23)21-16-19-10(9-25-16)7-14(22)20-13-8-11(24-4)5-6-12(13)18;;/h5-6,8-9H,7,18H2,1-4H3,(H,20,22)(H,19,21,23);2*1H
InChIKeyUSOURHQVWXDYSZ-UHFFFAOYSA-N
XLogP3.74
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119420969
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568246
N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227905
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
N-[4-[2-(5-methoxy-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 166216398
2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 41227867
N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568232
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride?
The IUPAC name of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride (CID 119421203) is N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride?
The canonical SMILES for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride is COc1ccc(N)c(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1.Cl.Cl.
What is the InChIKey of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride?
The InChIKey is USOURHQVWXDYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.2ClH/c1-17(2,3)15(23)21-16-19-10(9-25-16)7-14(22)20-13-8-11(24-4)5-6-12(13)18;;/h5-6,8-9H,7,18H2,1-4H3,(H,20,22)(H,19,21,23);2*1H.
What are the key properties of N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride?
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride has a molecular weight of 435.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride is sourced from PubChem (CID 119421203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).