5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H12BrFN2S — CID 3389693

IUPAC5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(CNC2=NCC(CBr)S2)cc1
InChIInChI=1S/C11H12BrFN2S/c12-5-10-7-15-11(16-10)14-6-8-1-3-9(13)4-2-8/h1-4,10H,5-7H2,(H,14,15)
InChIKeyYMXKZZPVPISTCP-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.78
Rot. Bonds3

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

5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3389693) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3389693
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC Name5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(CNC2=NCC(CBr)S2)cc1
InChIInChI=1S/C11H12BrFN2S/c12-5-10-7-15-11(16-10)14-6-8-1-3-9(13)4-2-8/h1-4,10H,5-7H2,(H,14,15)
InChIKeyYMXKZZPVPISTCP-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3389693) is 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1ccc(CNC2=NCC(CBr)S2)cc1.
What is the InChIKey of 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YMXKZZPVPISTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2S/c12-5-10-7-15-11(16-10)14-6-8-1-3-9(13)4-2-8/h1-4,10H,5-7H2,(H,14,15).
What are the key properties of 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 303.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3389693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).