4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine

C23H24N2O3S — CID 71292749

IUPAC4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-4-17(5-3-1)21-8-6-18-14-19(7-9-22(18)28-21)27-23-24-15-20(29-23)16-25-10-12-26-13-11-25/h1-5,7,9,14-15,21H,6,8,10-13,16H2
InChIKeySSCSMHMUJSKSIW-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.83
Rot. Bonds5

About 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine

4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 71292749) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID71292749
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-4-17(5-3-1)21-8-6-18-14-19(7-9-22(18)28-21)27-23-24-15-20(29-23)16-25-10-12-26-13-11-25/h1-5,7,9,14-15,21H,6,8,10-13,16H2
InChIKeySSCSMHMUJSKSIW-UHFFFAOYSA-N
XLogP4.83
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine (CID 71292749) is 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine is c1ccc(C2CCc3cc(Oc4ncc(CN5CCOCC5)s4)ccc3O2)cc1.
What is the InChIKey of 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is SSCSMHMUJSKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-4-17(5-3-1)21-8-6-18-14-19(7-9-22(18)28-21)27-23-24-15-20(29-23)16-25-10-12-26-13-11-25/h1-5,7,9,14-15,21H,6,8,10-13,16H2.
What are the key properties of 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine?
4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 408.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 71292749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).