[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C21H23N5O2S — CID 71526142

IUPAC[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1
InChIInChI=1S/C21H23N5O2S/c1-15-7-8-20(22-11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyMHLHIWUERGBCJP-IAGOWNOFSA-N
MW409.52 g/mol
LogP3.00
Rot. Bonds5

About [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71526142) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71526142
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1
InChIInChI=1S/C21H23N5O2S/c1-15-7-8-20(22-11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
InChIKeyMHLHIWUERGBCJP-IAGOWNOFSA-N
XLogP3.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)-5-methylthiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123952279
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 25124830
[(2R,5R)-2-methyl-5-[(5-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 25125857
[(2R,5R)-5-[(5-bromo-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71036863
[(2R,5R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-5-methyl-1-oxo-1,4-thiazinan-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71526325
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-5-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78098657
[(2R,5R)-2-methyl-5-(quinolin-2-yloxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46188604
[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 25125173
[4-methyl-7-[(5-methyl-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145041017
[3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 163502547
[3-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-1,3-azaphospholidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 166810689
[(2R,5R)-2-methyl-5-(1,5-naphthyridin-2-yloxymethyl)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71527495

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71526142) is [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1ccc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1.
What is the InChIKey of [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is MHLHIWUERGBCJP-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-15-7-8-20(22-11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 409.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-methyl-2-[(5-methyl-2-pyridinyl)oxymethyl]thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71526142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).