(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

C21H22ClN3OS — CID 124949958

IUPAC(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1
InChIInChI=1S/C21H22ClN3OS/c1-15-23-12-18(27-15)13-25-9-10-26-21(14-25)20-8-4-6-17(24-20)11-16-5-2-3-7-19(16)22/h2-8,12,21H,9-11,13-14H2,1H3/t21-/m0/s1
InChIKeyCYCRFGYPKKJQFF-NRFANRHFSA-N
MW399.95 g/mol
LogP4.66
Rot. Bonds5

About (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 124949958) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID124949958
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC Name(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1
InChIInChI=1S/C21H22ClN3OS/c1-15-23-12-18(27-15)13-25-9-10-26-21(14-25)20-8-4-6-17(24-20)11-16-5-2-3-7-19(16)22/h2-8,12,21H,9-11,13-14H2,1H3/t21-/m0/s1
InChIKeyCYCRFGYPKKJQFF-NRFANRHFSA-N
XLogP4.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine with MolForge

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Related Compounds

(2S)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124968837
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholine
CID 125016910
N,N-dimethyl-5-[[2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyrimidin-2-amine
CID 127249995
4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110093061
2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 127250881
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
(2R)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]-4-pyrimidin-2-ylmorpholine
CID 124963422
6-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 124980334
4,6-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249221
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
(2R)-2-(6-benzyl-2-pyridinyl)-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 124974858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 124949958) is (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1.
What is the InChIKey of (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is CYCRFGYPKKJQFF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-15-23-12-18(27-15)13-25-9-10-26-21(14-25)20-8-4-6-17(24-20)11-16-5-2-3-7-19(16)22/h2-8,12,21H,9-11,13-14H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 399.95 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 124949958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).