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

C13H14BrFN2S — CID 116884518

IUPAC2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(-c2cc(Br)ccc2F)sc1C(C)(C)N
InChIInChI=1S/C13H14BrFN2S/c1-7-11(13(2,3)16)18-12(17-7)9-6-8(14)4-5-10(9)15/h4-6H,16H2,1-3H3
InChIKeyHMHWXCGUEUPUQF-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.21
Rot. Bonds2

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

2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884518) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884518
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(-c2cc(Br)ccc2F)sc1C(C)(C)N
InChIInChI=1S/C13H14BrFN2S/c1-7-11(13(2,3)16)18-12(17-7)9-6-8(14)4-5-10(9)15/h4-6H,16H2,1-3H3
InChIKeyHMHWXCGUEUPUQF-UHFFFAOYSA-N
XLogP4.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884511
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 114895368
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82425850
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
CID 107932634
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 116886628
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine (CID 116884518) is 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine is Cc1nc(-c2cc(Br)ccc2F)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is HMHWXCGUEUPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-7-11(13(2,3)16)18-12(17-7)9-6-8(14)4-5-10(9)15/h4-6H,16H2,1-3H3.
What are the key properties of 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 329.24 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).