(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine

C18H19ClN4OS — CID 9373413

IUPAC(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine
SMILESClc1ccccc1CN1CCO[C@H](CSc2nnc3ccccn23)C1
InChIInChI=1S/C18H19ClN4OS/c19-16-6-2-1-5-14(16)11-22-9-10-24-15(12-22)13-25-18-21-20-17-7-3-4-8-23(17)18/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyBPWCAMGJKFUPIK-HNNXBMFYSA-N
MW374.90 g/mol
LogP3.38
Rot. Bonds5

About (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine

(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine (PubChem CID 9373413) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine
PubChem CID9373413
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine
SMILESClc1ccccc1CN1CCO[C@H](CSc2nnc3ccccn23)C1
InChIInChI=1S/C18H19ClN4OS/c19-16-6-2-1-5-14(16)11-22-9-10-24-15(12-22)13-25-18-21-20-17-7-3-4-8-23(17)18/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyBPWCAMGJKFUPIK-HNNXBMFYSA-N
XLogP3.38
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine with MolForge

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Related Compounds

(2R)-4-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9373218
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9464756
(2R)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 26624466
(2R)-4-[(2-chlorophenyl)methyl]-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]morpholine
CID 25482533
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-[(2-chlorophenyl)methyl]morpholine
CID 17439346
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372
(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
CID 25499114

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine?
The IUPAC name of (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine (CID 9373413) is (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine is Clc1ccccc1CN1CCO[C@H](CSc2nnc3ccccn23)C1.
What is the InChIKey of (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine?
The InChIKey is BPWCAMGJKFUPIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-16-6-2-1-5-14(16)11-22-9-10-24-15(12-22)13-25-18-21-20-17-7-3-4-8-23(17)18/h1-8,15H,9-13H2/t15-/m0/s1.
What are the key properties of (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine?
(2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine has a molecular weight of 374.90 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)morpholine is sourced from PubChem (CID 9373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).