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

C14H16BrFN2S — CID 54902365

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C14H16BrFN2S/c1-8(14-9(2)19-10(3)18-14)17-7-11-6-12(16)4-5-13(11)15/h4-6,8,17H,7H2,1-3H3
InChIKeyCSKUJSKDTDKBMY-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.51
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 54902365) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID54902365
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2cc(F)ccc2Br)c(C)s1
InChIInChI=1S/C14H16BrFN2S/c1-8(14-9(2)19-10(3)18-14)17-7-11-6-12(16)4-5-13(11)15/h4-6,8,17H,7H2,1-3H3
InChIKeyCSKUJSKDTDKBMY-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoroaniline
CID 43119299
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61015592
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
(1S)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 81355189
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
4-[1-[(2-bromo-5-fluorophenyl)methylamino]ethyl]phenol
CID 54902136
(1S)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81365478
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63452803
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43202763

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 54902365) is N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCc2cc(F)ccc2Br)c(C)s1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CSKUJSKDTDKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-8(14-9(2)19-10(3)18-14)17-7-11-6-12(16)4-5-13(11)15/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 343.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 54902365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).