4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C6H6BrF3N2S — CID 79399763

IUPAC4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3
InChIKeySCWUMSYZKOYBIY-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.90
Rot. Bonds2

About 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 79399763) has the molecular formula C6H6BrF3N2S and a molecular weight of 275.09 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID79399763
Molecular FormulaC6H6BrF3N2S
Molecular Weight275.09 g/mol
Exact Mass273.94
IUPAC Name4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCN(CC(F)(F)F)c1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3
InChIKeySCWUMSYZKOYBIY-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 79399763) is 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CN(CC(F)(F)F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is SCWUMSYZKOYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2S/c1-12(3-6(8,9)10)5-11-4(7)2-13-5/h2H,3H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 275.09 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).