N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C18H27Cl2N3OS — CID 119526028

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-4-18-21-15(11-23-18)9-17(22)20-10-16(19)14-7-5-13(6-8-14)12(2)3;;/h5-8,11-12,16H,4,9-10,19H2,1-3H3,(H,20,22);2*1H
InChIKeySIKOSJYWPUOKCH-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.03
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119526028) has the molecular formula C18H27Cl2N3OS and a molecular weight of 404.41 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119526028
Molecular FormulaC18H27Cl2N3OS
Molecular Weight404.41 g/mol
Exact Mass403.13
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3OS.2ClH/c1-4-18-21-15(11-23-18)9-17(22)20-10-16(19)14-7-5-13(6-8-14)12(2)3;;/h5-8,11-12,16H,4,9-10,19H2,1-3H3,(H,20,22);2*1H
InChIKeySIKOSJYWPUOKCH-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119526467
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methylthiophen-2-yl)acetamide;hydrochloride
CID 119525724
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119526928
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 47466332
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119526028) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CCc1nc(CC(=O)NCC(N)c2ccc(C(C)C)cc2)cs1.Cl.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is SIKOSJYWPUOKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.2ClH/c1-4-18-21-15(11-23-18)9-17(22)20-10-16(19)14-7-5-13(6-8-14)12(2)3;;/h5-8,11-12,16H,4,9-10,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 404.41 g/mol, XLogP of 4.03, 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-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119526028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).