4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine

C18H19N3O3S2 — CID 71713762

IUPAC4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,20-10-12-24-13-11-20)21-9-8-16-17(14-21)25-18(19-16)7-6-15-4-2-1-3-5-15/h1-5H,8-14H2
InChIKeyQOSHPJCNZIZNLZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.48
Rot. Bonds2

About 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine

4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine (PubChem CID 71713762) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine
PubChem CID71713762
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine
SMILESO=S(=O)(N1CCOCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C18H19N3O3S2/c22-26(23,20-10-12-24-13-11-20)21-9-8-16-17(14-21)25-18(19-16)7-6-15-4-2-1-3-5-15/h1-5H,8-14H2
InChIKeyQOSHPJCNZIZNLZ-UHFFFAOYSA-N
XLogP1.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-yl)-1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 71713322
cyclobutyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71712882
(3,3-difluoropyrrolidin-1-yl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713767
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)morpholine
CID 163350610
[2-[4-(3-chloropropoxy)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-methylidene-morpholin-4-yl-oxo-λ6-sulfane;ethane;hexane
CID 143616548
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2388087
5-(4-chlorophenyl)sulfonyl-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 53033264
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
4-[2-methyl-6-[(E)-2-phenylethenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786772
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine (CID 71713762) is 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine is O=S(=O)(N1CCOCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1.
What is the InChIKey of 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine?
The InChIKey is QOSHPJCNZIZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-26(23,20-10-12-24-13-11-20)21-9-8-16-17(14-21)25-18(19-16)7-6-15-4-2-1-3-5-15/h1-5H,8-14H2.
What are the key properties of 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine?
4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine has a molecular weight of 389.50 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 71713762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).