1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine

C17H22FN3OS — CID 95351952

IUPAC1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3ccccc3F)n2)CCO1
InChIInChI=1S/C17H22FN3OS/c1-20(2)10-14-11-21(7-8-22-14)9-13-12-23-17(19-13)15-5-3-4-6-16(15)18/h3-6,12,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyJBIURQOGELERPS-AWEZNQCLSA-N
MW335.45 g/mol
LogP2.71
Rot. Bonds5

About 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 95351952) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID95351952
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3ccccc3F)n2)CCO1
InChIInChI=1S/C17H22FN3OS/c1-20(2)10-14-11-21(7-8-22-14)9-13-12-23-17(19-13)15-5-3-4-6-16(15)18/h3-6,12,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyJBIURQOGELERPS-AWEZNQCLSA-N
XLogP2.71
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
1-[(2R)-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95345425
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
2-[methyl-[[4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 120606740
[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393450
N,N-dimethyl-1-[(2R)-4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]morpholin-2-yl]methanamine
CID 97254354
N,N-dimethyl-1-[(2R)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanamine
CID 95345198
N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998292
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 79833026

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine (CID 95351952) is 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1CN(Cc2csc(-c3ccccc3F)n2)CCO1.
What is the InChIKey of 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is JBIURQOGELERPS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-20(2)10-14-11-21(7-8-22-14)9-13-12-23-17(19-13)15-5-3-4-6-16(15)18/h3-6,12,14H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 335.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 95351952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).