1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C13H14BrFN2S — CID 62799862

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCc1nc(CC(N)Cc2cc(F)ccc2Br)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8-17-12(7-18-8)6-11(16)5-9-4-10(15)2-3-13(9)14/h2-4,7,11H,5-6,16H2,1H3
InChIKeyNNHUEWOLWHQFQH-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 62799862) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID62799862
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCc1nc(CC(N)Cc2cc(F)ccc2Br)cs1
InChIInChI=1S/C13H14BrFN2S/c1-8-17-12(7-18-8)6-11(16)5-9-4-10(15)2-3-13(9)14/h2-4,7,11H,5-6,16H2,1H3
InChIKeyNNHUEWOLWHQFQH-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
2-(2-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 113451254
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 62799862) is 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is Cc1nc(CC(N)Cc2cc(F)ccc2Br)cs1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is NNHUEWOLWHQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-8-17-12(7-18-8)6-11(16)5-9-4-10(15)2-3-13(9)14/h2-4,7,11H,5-6,16H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 329.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 62799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).