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

C16H23Cl2N3OS — CID 119869430

IUPAC2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)C(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11(2)16-19-13(10-21-16)8-9-18-15(20)14(17)12-6-4-3-5-7-12;;/h3-7,10-11,14H,8-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQXCWUKZGHCDEHN-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.47
Rot. Bonds6

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

2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride (PubChem CID 119869430) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
PubChem CID119869430
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
SMILESCC(C)c1nc(CCNC(=O)C(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11(2)16-19-13(10-21-16)8-9-18-15(20)14(17)12-6-4-3-5-7-12;;/h3-7,10-11,14H,8-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQXCWUKZGHCDEHN-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97121974
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111664964
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride (CID 119869430) is 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride is CC(C)c1nc(CCNC(=O)C(N)c2ccccc2)cs1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is QXCWUKZGHCDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-11(2)16-19-13(10-21-16)8-9-18-15(20)14(17)12-6-4-3-5-7-12;;/h3-7,10-11,14H,8-9,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119869430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).