(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine

C10H8BrFN2S — CID 69230150

IUPAC(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ncc(Br)s1
InChIInChI=1S/C10H8BrFN2S/c11-8-5-14-10(15-8)9(13)6-1-3-7(12)4-2-6/h1-5,9H,13H2
InChIKeyRHUYLKAEYQWVND-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.09
Rot. Bonds2

About (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine

(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine (PubChem CID 69230150) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine
PubChem CID69230150
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ncc(Br)s1
InChIInChI=1S/C10H8BrFN2S/c11-8-5-14-10(15-8)9(13)6-1-3-7(12)4-2-6/h1-5,9H,13H2
InChIKeyRHUYLKAEYQWVND-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine (CID 69230150) is (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1ncc(Br)s1.
What is the InChIKey of (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine?
The InChIKey is RHUYLKAEYQWVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c11-8-5-14-10(15-8)9(13)6-1-3-7(12)4-2-6/h1-5,9H,13H2.
What are the key properties of (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine?
(5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine has a molecular weight of 287.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-thiazol-2-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 69230150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).