1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide

C20H27N3O2S — CID 78788253

IUPAC1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCC(C(=O)N(C)C)CC3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-4-25-18-7-5-15(6-8-18)19-21-17(14-26-19)13-23-11-9-16(10-12-23)20(24)22(2)3/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyCFXUGTQUBXSHEQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.51
Rot. Bonds6

About 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide

1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 78788253) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID78788253
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCC(C(=O)N(C)C)CC3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-4-25-18-7-5-15(6-8-18)19-21-17(14-26-19)13-23-11-9-16(10-12-23)20(24)22(2)3/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyCFXUGTQUBXSHEQ-UHFFFAOYSA-N
XLogP3.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
8-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 55591032
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
(3aS,6aR)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680098
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
2-[3-(4-ethoxyphenyl)phenyl]-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazole
CID 24720751
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553361
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 78788253) is 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide is CCOc1ccc(-c2nc(CN3CCC(C(=O)N(C)C)CC3)cs2)cc1.
What is the InChIKey of 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is CFXUGTQUBXSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-25-18-7-5-15(6-8-18)19-21-17(14-26-19)13-23-11-9-16(10-12-23)20(24)22(2)3/h5-8,14,16H,4,9-13H2,1-3H3.
What are the key properties of 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 78788253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).