N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine

C18H18N2OS — CID 53272362

IUPACN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
SMILESCOc1cccc(-c2cnc(CNCc3ccccc3)s2)c1
InChIInChI=1S/C18H18N2OS/c1-21-16-9-5-8-15(10-16)17-12-20-18(22-17)13-19-11-14-6-3-2-4-7-14/h2-10,12,19H,11,13H2,1H3
InChIKeyZFBNBLZEOJFJAZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.11
Rot. Bonds6

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

N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 53272362) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID53272362
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
SMILESCOc1cccc(-c2cnc(CNCc3ccccc3)s2)c1
InChIInChI=1S/C18H18N2OS/c1-21-16-9-5-8-15(10-16)17-12-20-18(22-17)13-19-11-14-6-3-2-4-7-14/h2-10,12,19H,11,13H2,1H3
InChIKeyZFBNBLZEOJFJAZ-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272600
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272495
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine (CID 53272362) is N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine is COc1cccc(-c2cnc(CNCc3ccccc3)s2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is ZFBNBLZEOJFJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-21-16-9-5-8-15(10-16)17-12-20-18(22-17)13-19-11-14-6-3-2-4-7-14/h2-10,12,19H,11,13H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 310.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 53272362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).