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

C16H28N4O2S — CID 119641765

IUPACN-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCC(N)(CC)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C16H28N4O2S/c1-6-16(17,7-2)10-18-12(21)8-11-9-23-14(19-11)20-13(22)15(3,4)5/h9H,6-8,10,17H2,1-5H3,(H,18,21)(H,19,20,22)
InChIKeyIUMFCOQGUMSPHZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.30
Rot. Bonds7

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

N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 119641765) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID119641765
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCC(N)(CC)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C16H28N4O2S/c1-6-16(17,7-2)10-18-12(21)8-11-9-23-14(19-11)20-13(22)15(3,4)5/h9H,6-8,10,17H2,1-5H3,(H,18,21)(H,19,20,22)
InChIKeyIUMFCOQGUMSPHZ-UHFFFAOYSA-N
XLogP2.30
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119350986
N-[4-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119627196
N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
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-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-[4-[2-(5-amino-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 120568826
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
N-[4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568246
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 119641765) is N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CCC(N)(CC)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is IUMFCOQGUMSPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-6-16(17,7-2)10-18-12(21)8-11-9-23-14(19-11)20-13(22)15(3,4)5/h9H,6-8,10,17H2,1-5H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119641765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).