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

C10H8BrFN2S — CID 90980213

IUPAC4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(F)ccc2Br)cs1
InChIInChI=1S/C10H8BrFN2S/c11-9-2-1-7(12)3-6(9)4-8-5-15-10(13)14-8/h1-3,5H,4H2,(H2,13,14)
InChIKeyOZYDTSKNWPEQSR-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.22
Rot. Bonds2

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

4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 90980213) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID90980213
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(F)ccc2Br)cs1
InChIInChI=1S/C10H8BrFN2S/c11-9-2-1-7(12)3-6(9)4-8-5-15-10(13)14-8/h1-3,5H,4H2,(H2,13,14)
InChIKeyOZYDTSKNWPEQSR-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 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 90980213) is 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2cc(F)ccc2Br)cs1.
What is the InChIKey of 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OZYDTSKNWPEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c11-9-2-1-7(12)3-6(9)4-8-5-15-10(13)14-8/h1-3,5H,4H2,(H2,13,14).
What are the key properties of 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-[(2-bromo-5-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 4-[(2-bromo-5-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90980213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).