2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C23H24N2O2S — CID 71292892

IUPAC2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESc1ccc(C2CCc3cc(Oc4ncc(CN5CCCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-6-17(7-3-1)21-10-8-18-14-19(9-11-22(18)27-21)26-23-24-15-20(28-23)16-25-12-4-5-13-25/h1-3,6-7,9,11,14-15,21H,4-5,8,10,12-13,16H2
InChIKeyDCDUVVGUQZHBDT-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.60
Rot. Bonds5

About 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole

2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 71292892) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID71292892
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESc1ccc(C2CCc3cc(Oc4ncc(CN5CCCC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-6-17(7-3-1)21-10-8-18-14-19(9-11-22(18)27-21)26-23-24-15-20(28-23)16-25-12-4-5-13-25/h1-3,6-7,9,11,14-15,21H,4-5,8,10,12-13,16H2
InChIKeyDCDUVVGUQZHBDT-UHFFFAOYSA-N
XLogP5.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71293049
CID 71293049
CID 44290499
CID 44290499
CID 71292723
CID 71292723
CID 71292725
CID 71292725
CID 71292731
CID 71292731
CID 71292734
CID 71292734
CID 71292736
CID 71292736
CID 71292749
CID 71292749
CID 71292755
CID 71292755
CID 71292756
CID 71292756
CID 71292777
CID 71292777
CID 71292782
CID 71292782

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 71292892) is 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is c1ccc(C2CCc3cc(Oc4ncc(CN5CCCC5)s4)ccc3O2)cc1.
What is the InChIKey of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is DCDUVVGUQZHBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-6-17(7-3-1)21-10-8-18-14-19(9-11-22(18)27-21)26-23-24-15-20(28-23)16-25-12-4-5-13-25/h1-3,6-7,9,11,14-15,21H,4-5,8,10,12-13,16H2.
What are the key properties of 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 392.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 71292892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).