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

C23H24N2O2S — CID 71292929

IUPAC1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCC5CC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-4-17(5-3-1)21-10-8-18-12-19(9-11-22(18)27-21)26-23-25-15-20(28-23)14-24-13-16-6-7-16/h1-5,9,11-12,15-16,21,24H,6-8,10,13-14H2
InChIKeyXWGNRVQSDYCMRI-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.50
Rot. Bonds7

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

1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (PubChem CID 71292929) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
PubChem CID71292929
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
SMILESc1ccc(C2CCc3cc(Oc4ncc(CNCC5CC5)s4)ccc3O2)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-4-17(5-3-1)21-10-8-18-12-19(9-11-22(18)27-21)26-23-25-15-20(28-23)14-24-13-16-6-7-16/h1-5,9,11-12,15-16,21,24H,6-8,10,13-14H2
InChIKeyXWGNRVQSDYCMRI-UHFFFAOYSA-N
XLogP5.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine (CID 71292929) is 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is c1ccc(C2CCc3cc(Oc4ncc(CNCC5CC5)s4)ccc3O2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
The InChIKey is XWGNRVQSDYCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-4-17(5-3-1)21-10-8-18-12-19(9-11-22(18)27-21)26-23-25-15-20(28-23)14-24-13-16-6-7-16/h1-5,9,11-12,15-16,21,24H,6-8,10,13-14H2.
What are the key properties of 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine?
1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine has a molecular weight of 392.52 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 71292929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).