1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine

C24H22N2OS — CID 53272659

IUPAC1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1ccccc1CNCc1ncc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C24H22N2OS/c1-27-22-10-6-5-9-21(22)15-25-17-24-26-16-23(28-24)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16,25H,15,17H2,1H3
InChIKeyKARUMXVLJUTOSF-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.78
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine

1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53272659) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53272659
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1ccccc1CNCc1ncc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C24H22N2OS/c1-27-22-10-6-5-9-21(22)15-25-17-24-26-16-23(28-24)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16,25H,15,17H2,1H3
InChIKeyKARUMXVLJUTOSF-UHFFFAOYSA-N
XLogP5.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273236
1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273482
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
2-(2-methoxyphenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273016
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53272157
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53272376
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53271519

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53272659) is 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is COc1ccccc1CNCc1ncc(-c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is KARUMXVLJUTOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-27-22-10-6-5-9-21(22)15-25-17-24-26-16-23(28-24)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-14,16,25H,15,17H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 386.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53272659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).