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

C17H24Cl2FN3OS — CID 119639768

IUPACN-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2cccc(F)c2)n1.Cl.Cl
InChIInChI=1S/C17H22FN3OS.2ClH/c1-3-17(19,4-2)11-20-15(22)9-14-10-23-16(21-14)12-6-5-7-13(18)8-12;;/h5-8,10H,3-4,9,11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyVGRXZOSKFOXSRZ-UHFFFAOYSA-N
MW408.37 g/mol
LogP3.97
Rot. Bonds7

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

N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119639768) has the molecular formula C17H24Cl2FN3OS and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119639768
Molecular FormulaC17H24Cl2FN3OS
Molecular Weight408.37 g/mol
Exact Mass407.10
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2cccc(F)c2)n1.Cl.Cl
InChIInChI=1S/C17H22FN3OS.2ClH/c1-3-17(19,4-2)11-20-15(22)9-14-10-23-16(21-14)12-6-5-7-13(18)8-12;;/h5-8,10H,3-4,9,11,19H2,1-2H3,(H,20,22);2*1H
InChIKeyVGRXZOSKFOXSRZ-UHFFFAOYSA-N
XLogP3.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119639768) is N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CCC(N)(CC)CNC(=O)Cc1csc(-c2cccc(F)c2)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is VGRXZOSKFOXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS.2ClH/c1-3-17(19,4-2)11-20-15(22)9-14-10-23-16(21-14)12-6-5-7-13(18)8-12;;/h5-8,10H,3-4,9,11,19H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119639768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).