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

C18H17FN2OS — CID 53272234

IUPACN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ncc(-c2ccccc2F)s1
InChIInChI=1S/C18H17FN2OS/c1-22-16-9-5-2-6-13(16)10-20-12-18-21-11-17(23-18)14-7-3-4-8-15(14)19/h2-9,11,20H,10,12H2,1H3
InChIKeyYANGDXKJORLEDW-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.25
Rot. Bonds6

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

N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 53272234) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID53272234
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC NameN-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ncc(-c2ccccc2F)s1
InChIInChI=1S/C18H17FN2OS/c1-22-16-9-5-2-6-13(16)10-20-12-18-21-11-17(23-18)14-7-3-4-8-15(14)19/h2-9,11,20H,10,12H2,1H3
InChIKeyYANGDXKJORLEDW-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine (CID 53272234) is N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1ncc(-c2ccccc2F)s1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is YANGDXKJORLEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-22-16-9-5-2-6-13(16)10-20-12-18-21-11-17(23-18)14-7-3-4-8-15(14)19/h2-9,11,20H,10,12H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine?
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 328.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 53272234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).