1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

C15H17BrFN3OS — CID 119111518

IUPAC1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESFc1ccc(Br)c(CNCc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H17BrFN3OS/c16-14-2-1-12(17)7-11(14)8-18-9-13-10-19-15(22-13)20-3-5-21-6-4-20/h1-2,7,10,18H,3-6,8-9H2
InChIKeyACUFFERNWCYPEK-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 119111518) has the molecular formula C15H17BrFN3OS and a molecular weight of 386.29 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID119111518
Molecular FormulaC15H17BrFN3OS
Molecular Weight386.29 g/mol
Exact Mass385.03
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESFc1ccc(Br)c(CNCc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C15H17BrFN3OS/c16-14-2-1-12(17)7-11(14)8-18-9-13-10-19-15(22-13)20-3-5-21-6-4-20/h1-2,7,10,18H,3-6,8-9H2
InChIKeyACUFFERNWCYPEK-UHFFFAOYSA-N
XLogP3.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 119111518) is 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is Fc1ccc(Br)c(CNCc2cnc(N3CCOCC3)s2)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is ACUFFERNWCYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3OS/c16-14-2-1-12(17)7-11(14)8-18-9-13-10-19-15(22-13)20-3-5-21-6-4-20/h1-2,7,10,18H,3-6,8-9H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 386.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 119111518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).