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

C23H26N2O2S — CID 71292896

IUPAC2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C23H26N2O2S/c1-16(2)13-24-14-20-15-25-23(28-20)26-19-9-11-22-18(12-19)8-10-21(27-22)17-6-4-3-5-7-17/h3-7,9,11-12,15-16,21,24H,8,10,13-14H2,1-2H3
InChIKeyLYLSYEAZGJRGJO-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.75
Rot. Bonds7

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

2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 71292896) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID71292896
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C23H26N2O2S/c1-16(2)13-24-14-20-15-25-23(28-20)26-19-9-11-22-18(12-19)8-10-21(27-22)17-6-4-3-5-7-17/h3-7,9,11-12,15-16,21,24H,8,10,13-14H2,1-2H3
InChIKeyLYLSYEAZGJRGJO-UHFFFAOYSA-N
XLogP5.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 71292896) is 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is LYLSYEAZGJRGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-16(2)13-24-14-20-15-25-23(28-20)26-19-9-11-22-18(12-19)8-10-21(27-22)17-6-4-3-5-7-17/h3-7,9,11-12,15-16,21,24H,8,10,13-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 394.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 71292896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).