N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C17H23Cl2N3O2S — CID 119553161

IUPACN-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCc1nc(COc2cccc(C(=O)N(C)C3CCNC3)c2)cs1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-12-19-14(11-23-12)10-22-16-5-3-4-13(8-16)17(21)20(2)15-6-7-18-9-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H
InChIKeyASTLNDSVFPEMJU-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride

N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119553161) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119553161
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC NameN-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCc1nc(COc2cccc(C(=O)N(C)C3CCNC3)c2)cs1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-12-19-14(11-23-12)10-22-16-5-3-4-13(8-16)17(21)20(2)15-6-7-18-9-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H
InChIKeyASTLNDSVFPEMJU-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825259
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 97324502
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55689158
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34764554
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119553161) is N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride is Cc1nc(COc2cccc(C(=O)N(C)C3CCNC3)c2)cs1.Cl.Cl.
What is the InChIKey of N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is ASTLNDSVFPEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.2ClH/c1-12-19-14(11-23-12)10-22-16-5-3-4-13(8-16)17(21)20(2)15-6-7-18-9-15;;/h3-5,8,11,15,18H,6-7,9-10H2,1-2H3;2*1H.
What are the key properties of N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 404.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119553161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).