1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine

C16H21N3OS — CID 95339003

IUPAC1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCN1CCO[C@H](CNCc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N3OS/c1-19-7-8-20-14(12-19)9-17-10-15-11-18-16(21-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3/t14-/m1/s1
InChIKeyWNKKNZBNSTXCNK-CQSZACIVSA-N
MW303.43 g/mol
LogP2.23
Rot. Bonds5

About 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine

1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 95339003) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID95339003
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCN1CCO[C@H](CNCc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C16H21N3OS/c1-19-7-8-20-14(12-19)9-17-10-15-11-18-16(21-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3/t14-/m1/s1
InChIKeyWNKKNZBNSTXCNK-CQSZACIVSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(5-phenylfuran-2-yl)methyl]methanamine
CID 119123106
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124873009
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine (CID 95339003) is 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine is CN1CCO[C@H](CNCc2cnc(-c3ccccc3)s2)C1.
What is the InChIKey of 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is WNKKNZBNSTXCNK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19-7-8-20-14(12-19)9-17-10-15-11-18-16(21-15)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10,12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 95339003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).