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

C11H10BrF3N2S — CID 60792387

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(Br)cc2C(F)(F)F)=N1
InChIInChI=1S/C11H10BrF3N2S/c1-6-5-18-10(16-6)17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyNLAJDNPXFWDNBY-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.37
Rot. Bonds1

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

N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 60792387) has the molecular formula C11H10BrF3N2S and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID60792387
Molecular FormulaC11H10BrF3N2S
Molecular Weight339.18 g/mol
Exact Mass337.97
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(Br)cc2C(F)(F)F)=N1
InChIInChI=1S/C11H10BrF3N2S/c1-6-5-18-10(16-6)17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeyNLAJDNPXFWDNBY-UHFFFAOYSA-N
XLogP4.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-2-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036060
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
N-[4-bromo-2-(trifluoromethoxy)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 103193509
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43382040
N-[4-bromo-2-(trifluoromethyl)phenyl]-4,4-dimethylthian-3-amine
CID 79947776
N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107607250
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
4-bromo-N-(1-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 65485761
5-N-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyridine-2,5-diamine
CID 174645527
N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439714
4-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 65484973

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 60792387) is N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2ccc(Br)cc2C(F)(F)F)=N1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NLAJDNPXFWDNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2S/c1-6-5-18-10(16-6)17-9-3-2-7(12)4-8(9)11(13,14)15/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 339.18 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 60792387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).