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

C17H22N4O2S — CID 120568826

IUPACN-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(N)cc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C17H22N4O2S/c1-10-5-6-11(18)7-13(10)20-14(22)8-12-9-24-16(19-12)21-15(23)17(2,3)4/h5-7,9H,8,18H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOMOWQPPIODMMFS-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.20
Rot. Bonds4

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

N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 120568826) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID120568826
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(N)cc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C17H22N4O2S/c1-10-5-6-11(18)7-13(10)20-14(22)8-12-9-24-16(19-12)21-15(23)17(2,3)4/h5-7,9H,8,18H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOMOWQPPIODMMFS-UHFFFAOYSA-N
XLogP3.20
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119421203
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 27397465
3-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119350986
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119780709
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 119641765
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
N-[4-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41227905

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 120568826) is N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1ccc(N)cc1NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OMOWQPPIODMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-5-6-11(18)7-13(10)20-14(22)8-12-9-24-16(19-12)21-15(23)17(2,3)4/h5-7,9H,8,18H2,1-4H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 346.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 120568826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).