N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine

C6H6BrF3N2S — CID 66722761

IUPACN-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c7-4-2-13-5(12-4)1-11-3-6(8,9)10/h2,11H,1,3H2
InChIKeyYEKYLZMKFNSNCR-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.56
Rot. Bonds3

About N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 66722761) has the molecular formula C6H6BrF3N2S and a molecular weight of 275.09 g/mol. Its IUPAC name is N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID66722761
Molecular FormulaC6H6BrF3N2S
Molecular Weight275.09 g/mol
Exact Mass273.94
IUPAC NameN-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCc1nc(Br)cs1
InChIInChI=1S/C6H6BrF3N2S/c7-4-2-13-5(12-4)1-11-3-6(8,9)10/h2,11H,1,3H2
InChIKeyYEKYLZMKFNSNCR-UHFFFAOYSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 66722761) is N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine is FC(F)(F)CNCc1nc(Br)cs1.
What is the InChIKey of N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is YEKYLZMKFNSNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2S/c7-4-2-13-5(12-4)1-11-3-6(8,9)10/h2,11H,1,3H2.
What are the key properties of N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 275.09 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-thiazol-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66722761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).