4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine

C24H34N4O4S2 — CID 24803096

IUPAC4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine
SMILESCC1CCCN1CCCOc1ccc(-c2nc3c(s2)CCCN3S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H34N4O4S2/c1-19-5-2-11-26(19)12-4-16-32-21-9-7-20(8-10-21)24-25-23-22(33-24)6-3-13-28(23)34(29,30)27-14-17-31-18-15-27/h7-10,19H,2-6,11-18H2,1H3
InChIKeyNNNLYQUQXDXTSQ-UHFFFAOYSA-N
MW506.69 g/mol
LogP3.39
Rot. Bonds8

About 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine

4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine (PubChem CID 24803096) has the molecular formula C24H34N4O4S2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine
PubChem CID24803096
Molecular FormulaC24H34N4O4S2
Molecular Weight506.69 g/mol
Exact Mass506.20
IUPAC Name4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine
SMILESCC1CCCN1CCCOc1ccc(-c2nc3c(s2)CCCN3S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H34N4O4S2/c1-19-5-2-11-26(19)12-4-16-32-21-9-7-20(8-10-21)24-25-23-22(33-24)6-3-13-28(23)34(29,30)27-14-17-31-18-15-27/h7-10,19H,2-6,11-18H2,1H3
InChIKeyNNNLYQUQXDXTSQ-UHFFFAOYSA-N
XLogP3.39
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine (CID 24803096) is 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine is CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CCCN3S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine?
The InChIKey is NNNLYQUQXDXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S2/c1-19-5-2-11-26(19)12-4-16-32-21-9-7-20(8-10-21)24-25-23-22(33-24)6-3-13-28(23)34(29,30)27-14-17-31-18-15-27/h7-10,19H,2-6,11-18H2,1H3.
What are the key properties of 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine?
4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine has a molecular weight of 506.69 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridin-4-yl]sulfonyl]morpholine is sourced from PubChem (CID 24803096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).