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

C18H27Cl2N3OS — CID 119640329

IUPACN-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(C)cc2)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-4-18(19,5-2)12-20-16(22)10-15-11-23-17(21-15)14-8-6-13(3)7-9-14;;/h6-9,11H,4-5,10,12,19H2,1-3H3,(H,20,22);2*1H
InChIKeyUCMIGFUJRLRUHS-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.14
Rot. Bonds7

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

N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119640329) has the molecular formula C18H27Cl2N3OS and a molecular weight of 404.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119640329
Molecular FormulaC18H27Cl2N3OS
Molecular Weight404.41 g/mol
Exact Mass403.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(C)cc2)n1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-4-18(19,5-2)12-20-16(22)10-15-11-23-17(21-15)14-8-6-13(3)7-9-14;;/h6-9,11H,4-5,10,12,19H2,1-3H3,(H,20,22);2*1H
InChIKeyUCMIGFUJRLRUHS-UHFFFAOYSA-N
XLogP4.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
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-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119996957
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119640329) is N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(C)cc2)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is UCMIGFUJRLRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.2ClH/c1-4-18(19,5-2)12-20-16(22)10-15-11-23-17(21-15)14-8-6-13(3)7-9-14;;/h6-9,11H,4-5,10,12,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 404.41 g/mol, XLogP of 4.14, 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-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).