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

C23H24N2O2S — CID 71292731

IUPACN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNC5CCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-5-16(6-3-1)21-11-9-17-13-19(10-12-22(17)27-21)26-23-25-15-20(28-23)14-24-18-7-4-8-18/h1-3,5-6,10,12-13,15,18,21,24H,4,7-9,11,14H2
InChIKeyFERCETBFVSTERA-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.64
Rot. Bonds6

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

N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine (PubChem CID 71292731) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine
PubChem CID71292731
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNC5CCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-5-16(6-3-1)21-11-9-17-13-19(10-12-22(17)27-21)26-23-25-15-20(28-23)14-24-18-7-4-8-18/h1-3,5-6,10,12-13,15,18,21,24H,4,7-9,11,14H2
InChIKeyFERCETBFVSTERA-UHFFFAOYSA-N
XLogP5.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine (CID 71292731) is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine is c1ccc(C2CCc3cc(Oc4ncc(CNC5CCC5)s4)ccc3O2)cc1.
What is the InChIKey of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine?
The InChIKey is FERCETBFVSTERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-5-16(6-3-1)21-11-9-17-13-19(10-12-22(17)27-21)26-23-25-15-20(28-23)14-24-18-7-4-8-18/h1-3,5-6,10,12-13,15,18,21,24H,4,7-9,11,14H2.
What are the key properties of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine?
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine has a molecular weight of 392.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]cyclobutanamine is sourced from PubChem (CID 71292731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).