N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine

C21H24N2OS — CID 78817735

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1ccc(-c2nc(CNC(c3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H24N2OS/c1-15(2)20(16-7-5-4-6-8-16)22-13-18-14-25-21(23-18)17-9-11-19(24-3)12-10-17/h4-12,14-15,20,22H,13H2,1-3H3
InChIKeyVHCWMUQXHCZHDC-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.31
Rot. Bonds7

About N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 78817735) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID78817735
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCOc1ccc(-c2nc(CNC(c3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H24N2OS/c1-15(2)20(16-7-5-4-6-8-16)22-13-18-14-25-21(23-18)17-9-11-19(24-3)12-10-17/h4-12,14-15,20,22H,13H2,1-3H3
InChIKeyVHCWMUQXHCZHDC-UHFFFAOYSA-N
XLogP5.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine (CID 78817735) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine is COc1ccc(-c2nc(CNC(c3ccccc3)C(C)C)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is VHCWMUQXHCZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-15(2)20(16-7-5-4-6-8-16)22-13-18-14-25-21(23-18)17-9-11-19(24-3)12-10-17/h4-12,14-15,20,22H,13H2,1-3H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 352.50 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 78817735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).