N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C16H24Cl2N4OS — CID 119641011

IUPACN-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccccn2)n1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-3-16(17,4-2)11-19-14(21)9-12-10-22-15(20-12)13-7-5-6-8-18-13;;/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,19,21);2*1H
InChIKeyOYFKYRUAELLPLU-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.22
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119641011) has the molecular formula C16H24Cl2N4OS and a molecular weight of 391.37 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119641011
Molecular FormulaC16H24Cl2N4OS
Molecular Weight391.37 g/mol
Exact Mass390.10
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccccn2)n1.Cl.Cl
InChIInChI=1S/C16H22N4OS.2ClH/c1-3-16(17,4-2)11-19-14(21)9-12-10-22-15(20-12)13-7-5-6-8-18-13;;/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,19,21);2*1H
InChIKeyOYFKYRUAELLPLU-UHFFFAOYSA-N
XLogP3.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 110002106
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119641011) is N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CCC(N)(CC)CNC(=O)Cc1csc(-c2ccccn2)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is OYFKYRUAELLPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS.2ClH/c1-3-16(17,4-2)11-19-14(21)9-12-10-22-15(20-12)13-7-5-6-8-18-13;;/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 391.37 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119641011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).