2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C17H23Cl2N3O2S — CID 119424460

IUPAC2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(C(=O)NC3CCCNC3)cs2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-2-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-13-4-3-9-18-10-13;;/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,19,21);2*1H
InChIKeyUOFRUBYLFGWFEN-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride

2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119424460) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119424460
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC Name2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCOc1ccc(-c2nc(C(=O)NC3CCCNC3)cs2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-2-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-13-4-3-9-18-10-13;;/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,19,21);2*1H
InChIKeyUOFRUBYLFGWFEN-UHFFFAOYSA-N
XLogP3.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119455343
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 120659131
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119424460) is 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CCOc1ccc(-c2nc(C(=O)NC3CCCNC3)cs2)cc1.Cl.Cl.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is UOFRUBYLFGWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.2ClH/c1-2-22-14-7-5-12(6-8-14)17-20-15(11-23-17)16(21)19-13-4-3-9-18-10-13;;/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,19,21);2*1H.
What are the key properties of 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 404.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119424460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).