2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride

C18H25Cl2N3OS — CID 119442266

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCN(C(=O)Cc1csc(Cc2ccccc2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-21(16-7-9-19-10-8-16)18(22)12-15-13-23-17(20-15)11-14-5-3-2-4-6-14;;/h2-6,13,16,19H,7-12H2,1H3;2*1H
InChIKeyYCPGWCZRAWDJLA-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride

2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119442266) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119442266
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCN(C(=O)Cc1csc(Cc2ccccc2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H23N3OS.2ClH/c1-21(16-7-9-19-10-8-16)18(22)12-15-13-23-17(20-15)11-14-5-3-2-4-6-14;;/h2-6,13,16,19H,7-12H2,1H3;2*1H
InChIKeyYCPGWCZRAWDJLA-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
CID 55668565
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119444328
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441255
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride (CID 119442266) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride is CN(C(=O)Cc1csc(Cc2ccccc2)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is YCPGWCZRAWDJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.2ClH/c1-21(16-7-9-19-10-8-16)18(22)12-15-13-23-17(20-15)11-14-5-3-2-4-6-14;;/h2-6,13,16,19H,7-12H2,1H3;2*1H.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 402.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119442266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).