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

C15H21Cl2N3OS — CID 120669527

IUPAC2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCc2csc(C)n2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-3-5-12(6-4-10)14(16)15(19)17-8-7-13-9-20-11(2)18-13;;/h3-6,9,14H,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyWNFQUXWJSXFYAF-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.96
Rot. Bonds5

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

2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride (PubChem CID 120669527) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
PubChem CID120669527
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC Name2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCc2csc(C)n2)cc1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-10-3-5-12(6-4-10)14(16)15(19)17-8-7-13-9-20-11(2)18-13;;/h3-6,9,14H,7-8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyWNFQUXWJSXFYAF-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
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CID 120670027
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride (CID 120669527) is 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCc2csc(C)n2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is WNFQUXWJSXFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-10-3-5-12(6-4-10)14(16)15(19)17-8-7-13-9-20-11(2)18-13;;/h3-6,9,14H,7-8,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 120669527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).