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

C10H10BrFN2S — CID 50913563

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(Br)cc1CNC1=NCCS1
InChIInChI=1S/C10H10BrFN2S/c11-8-1-2-9(12)7(5-8)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyCBAHAGZHSFSWLG-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.78
Rot. Bonds2

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

N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913563) has the molecular formula C10H10BrFN2S and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913563
Molecular FormulaC10H10BrFN2S
Molecular Weight289.17 g/mol
Exact Mass287.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(Br)cc1CNC1=NCCS1
InChIInChI=1S/C10H10BrFN2S/c11-8-1-2-9(12)7(5-8)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyCBAHAGZHSFSWLG-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337
Thiazolamine, 4,5-dihydro-N-((4-bromophenyl)methyl)-
CID 3055292
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
CID 127037033
(2S)-2-(3-bromo-4-fluorophenyl)-1,3-thiazolidine
CID 129367461
5-(bromomethyl)-N-(4-fluorobenzyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3389693
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 17479140
N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913560
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913703

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913563) is N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1ccc(Br)cc1CNC1=NCCS1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CBAHAGZHSFSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2S/c11-8-1-2-9(12)7(5-8)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 289.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).