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

C10H8BrFN2S — CID 16769782

IUPAC5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C10H8BrFN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyWVUWXEFXOVDPRC-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.22
Rot. Bonds2

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

5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 16769782) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID16769782
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C10H8BrFN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyWVUWXEFXOVDPRC-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 16769782) is 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(Br)cc2F)s1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is WVUWXEFXOVDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 287.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16769782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).