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

C11H8BrF3N2S — CID 79398800

IUPAC4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Br)cs2)cc1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2S/c1-6-2-3-7(4-8(6)11(13,14)15)16-10-17-9(12)5-18-10/h2-5H,1H3,(H,16,17)
InChIKeyQVKLLTIAVQNEEK-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.98
Rot. Bonds2

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

4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 79398800) has the molecular formula C11H8BrF3N2S and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID79398800
Molecular FormulaC11H8BrF3N2S
Molecular Weight337.16 g/mol
Exact Mass335.95
IUPAC Name4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(Br)cs2)cc1C(F)(F)F
InChIInChI=1S/C11H8BrF3N2S/c1-6-2-3-7(4-8(6)11(13,14)15)16-10-17-9(12)5-18-10/h2-5H,1H3,(H,16,17)
InChIKeyQVKLLTIAVQNEEK-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 79398800) is 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(Br)cs2)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is QVKLLTIAVQNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S/c1-6-2-3-7(4-8(6)11(13,14)15)16-10-17-9(12)5-18-10/h2-5H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 337.16 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79398800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).