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

C24H28N2O2S — CID 71292903

IUPAC3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCC(C)CCNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N2O2S/c1-17(2)12-13-25-15-21-16-26-24(29-21)27-20-9-11-23-19(14-20)8-10-22(28-23)18-6-4-3-5-7-18/h3-7,9,11,14,16-17,22,25H,8,10,12-13,15H2,1-2H3
InChIKeyXZDRMWHWPNQRHE-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.14
Rot. Bonds8

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

3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 71292903) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID71292903
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCC(C)CCNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H28N2O2S/c1-17(2)12-13-25-15-21-16-26-24(29-21)27-20-9-11-23-19(14-20)8-10-22(28-23)18-6-4-3-5-7-18/h3-7,9,11,14,16-17,22,25H,8,10,12-13,15H2,1-2H3
InChIKeyXZDRMWHWPNQRHE-UHFFFAOYSA-N
XLogP6.14
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 ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-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 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 71292903) is 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine is CC(C)CCNCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is XZDRMWHWPNQRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-17(2)12-13-25-15-21-16-26-24(29-21)27-20-9-11-23-19(14-20)8-10-22(28-23)18-6-4-3-5-7-18/h3-7,9,11,14,16-17,22,25H,8,10,12-13,15H2,1-2H3.
What are the key properties of 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine?
3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 408.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 71292903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).