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

C13H14BrFN2S — CID 103778055

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cc2Br)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8(12-4-3-10(15)5-13(12)14)16-6-11-7-18-9(2)17-11/h3-5,7-8,16H,6H2,1-2H3
InChIKeyBJZAABWQTBHOPM-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.20
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 103778055) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID103778055
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cc2Br)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8(12-4-3-10(15)5-13(12)14)16-6-11-7-18-9(2)17-11/h3-5,7-8,16H,6H2,1-2H3
InChIKeyBJZAABWQTBHOPM-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
1-(2-bromo-4-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370500
1-(2-bromo-4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 103781428
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282442
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 103778055) is 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CNC(C)c2ccc(F)cc2Br)cs1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is BJZAABWQTBHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-8(12-4-3-10(15)5-13(12)14)16-6-11-7-18-9(2)17-11/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 329.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103778055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).