4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine

C15H19N3OS2 — CID 75435208

IUPAC4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
SMILESc1ccc(-c2nc(CSCCN3CCOCC3)cs2)nc1
InChIInChI=1S/C15H19N3OS2/c1-2-4-16-14(3-1)15-17-13(12-21-15)11-20-10-7-18-5-8-19-9-6-18/h1-4,12H,5-11H2
InChIKeySNYNOVQXZQCWDE-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.77
Rot. Bonds6

About 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine

4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine (PubChem CID 75435208) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
PubChem CID75435208
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine
SMILESc1ccc(-c2nc(CSCCN3CCOCC3)cs2)nc1
InChIInChI=1S/C15H19N3OS2/c1-2-4-16-14(3-1)15-17-13(12-21-15)11-20-10-7-18-5-8-19-9-6-18/h1-4,12H,5-11H2
InChIKeySNYNOVQXZQCWDE-UHFFFAOYSA-N
XLogP2.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine with MolForge

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Related Compounds

1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 112815538
4-[(4-methoxy-2-pyridinyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 86795571
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
N-[(1R,2R)-2-morpholin-4-ylcyclopropyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 154760893
4-[2-(pyridin-4-ylmethylsulfanyl)ethyl]morpholine
CID 110176808
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
4-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethyl]morpholine
CID 84592261

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine (CID 75435208) is 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine is c1ccc(-c2nc(CSCCN3CCOCC3)cs2)nc1.
What is the InChIKey of 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine?
The InChIKey is SNYNOVQXZQCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-2-4-16-14(3-1)15-17-13(12-21-15)11-20-10-7-18-5-8-19-9-6-18/h1-4,12H,5-11H2.
What are the key properties of 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine?
4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine has a molecular weight of 321.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]morpholine is sourced from PubChem (CID 75435208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).