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

C21H30N4O2S — CID 41160013

IUPACN-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C21H30N4O2S/c1-7-25(8-2)16-9-10-17(14(3)11-16)23-18(26)12-15-13-28-20(22-15)24-19(27)21(4,5)6/h9-11,13H,7-8,12H2,1-6H3,(H,23,26)(H,22,24,27)
InChIKeyYKXCGGPEQAUKHP-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.46
Rot. Bonds7

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

N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 41160013) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID41160013
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1
InChIInChI=1S/C21H30N4O2S/c1-7-25(8-2)16-9-10-17(14(3)11-16)23-18(26)12-15-13-28-20(22-15)24-19(27)21(4,5)6/h9-11,13H,7-8,12H2,1-6H3,(H,23,26)(H,22,24,27)
InChIKeyYKXCGGPEQAUKHP-UHFFFAOYSA-N
XLogP4.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 18567631
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
2,2-dimethyl-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 41227867
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 27397465
N-[4-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119421203
N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879558
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 119641765
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
3-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119350986
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 41160013) is N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c(C)c1.
What is the InChIKey of N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is YKXCGGPEQAUKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-7-25(8-2)16-9-10-17(14(3)11-16)23-18(26)12-15-13-28-20(22-15)24-19(27)21(4,5)6/h9-11,13H,7-8,12H2,1-6H3,(H,23,26)(H,22,24,27).
What are the key properties of N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 41160013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).