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

C12H12BrFN2S — CID 116888202

IUPAC1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H12BrFN2S/c1-7(15)4-9-6-17-12(16-9)10-5-8(13)2-3-11(10)14/h2-3,5-7H,4,15H2,1H3
InChIKeyTYNSNWSBQOZKKR-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.60
Rot. Bonds3

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

1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888202) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888202
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(N)Cc1csc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H12BrFN2S/c1-7(15)4-9-6-17-12(16-9)10-5-8(13)2-3-11(10)14/h2-3,5-7H,4,15H2,1H3
InChIKeyTYNSNWSBQOZKKR-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
2-amino-2-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890638
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888197
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-amino-1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890698
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888202) is 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine is CC(N)Cc1csc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is TYNSNWSBQOZKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-7(15)4-9-6-17-12(16-9)10-5-8(13)2-3-11(10)14/h2-3,5-7H,4,15H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 315.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).