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

C12H12BrFN2S — CID 64707300

IUPAC5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2S/c1-6(11-7(2)16-12(15)17-11)9-4-3-8(14)5-10(9)13/h3-6H,1-2H3,(H2,15,16)
InChIKeyRFDGOUVGZSVCEU-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.09
Rot. Bonds2

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

5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 64707300) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID64707300
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)c1ccc(F)cc1Br
InChIInChI=1S/C12H12BrFN2S/c1-6(11-7(2)16-12(15)17-11)9-4-3-8(14)5-10(9)13/h3-6H,1-2H3,(H2,15,16)
InChIKeyRFDGOUVGZSVCEU-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[1-(2,4,6-tribromophenyl)ethyl]-1,3-thiazol-2-amine
CID 64707273
5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 64707265
5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 82819585
5-(1-fluoroethyl)-4-methyl-1,3-thiazol-2-amine
CID 83853616
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 43772577
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
4-methyl-5-[1-(4-phenylphenyl)ethyl]-1,3-thiazol-2-amine
CID 64708326
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107626860
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
[1-(2-bromo-4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105281686
5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 107626944

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 64707300) is 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)c1ccc(F)cc1Br.
What is the InChIKey of 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RFDGOUVGZSVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-6(11-7(2)16-12(15)17-11)9-4-3-8(14)5-10(9)13/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 315.21 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64707300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).