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

C24H28N2O2S — CID 71293056

IUPACN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N2O2S/c1-3-19(4-2)25-15-21-16-26-24(29-21)27-20-11-13-23-18(14-20)10-12-22(28-23)17-8-6-5-7-9-17/h5-9,11,13-14,16,19,22,25H,3-4,10,12,15H2,1-2H3
InChIKeyIUCUEUKHOPTJKY-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.28
Rot. Bonds8

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

N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine (PubChem CID 71293056) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine
PubChem CID71293056
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N2O2S/c1-3-19(4-2)25-15-21-16-26-24(29-21)27-20-11-13-23-18(14-20)10-12-22(28-23)17-8-6-5-7-9-17/h5-9,11,13-14,16,19,22,25H,3-4,10,12,15H2,1-2H3
InChIKeyIUCUEUKHOPTJKY-UHFFFAOYSA-N
XLogP6.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.28
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]pentan-3-amine?
The IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine (CID 71293056) is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine?
The canonical SMILES for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine is CCC(CC)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine?
The InChIKey is IUCUEUKHOPTJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-3-19(4-2)25-15-21-16-26-24(29-21)27-20-11-13-23-18(14-20)10-12-22(28-23)17-8-6-5-7-9-17/h5-9,11,13-14,16,19,22,25H,3-4,10,12,15H2,1-2H3.
What are the key properties of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine?
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]pentan-3-amine has a molecular weight of 408.57 g/mol, XLogP of 6.28, 8 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]pentan-3-amine is sourced from PubChem (CID 71293056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).