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

C15H21Cl2N3OS — CID 119897370

IUPAC2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCC(C)c1csc(CNC(=O)C(N)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10(2)12-9-20-13(18-12)8-17-15(19)14(16)11-6-4-3-5-7-11;;/h3-7,9-10,14H,8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyTYJIMXQEAFJWEO-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.43
Rot. Bonds5

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

2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride (PubChem CID 119897370) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
PubChem CID119897370
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCC(C)c1csc(CNC(=O)C(N)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10(2)12-9-20-13(18-12)8-17-15(19)14(16)11-6-4-3-5-7-11;;/h3-7,9-10,14H,8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyTYJIMXQEAFJWEO-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119334068
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(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106312493
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110484643
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride (CID 119897370) is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride is CC(C)c1csc(CNC(=O)C(N)c2ccccc2)n1.Cl.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
The InChIKey is TYJIMXQEAFJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10(2)12-9-20-13(18-12)8-17-15(19)14(16)11-6-4-3-5-7-11;;/h3-7,9-10,14H,8,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride?
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 3.43, 5 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-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119897370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).