2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C13H12BrF3N2S — CID 106783011

IUPAC2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12BrF3N2S/c1-18-10(6-8-2-4-9(14)5-3-8)11-7-19-12(20-11)13(15,16)17/h2-5,7,10,18H,6H2,1H3
InChIKeyVCYSSVOZALYYCU-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106783011) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106783011
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H12BrF3N2S/c1-18-10(6-8-2-4-9(14)5-3-8)11-7-19-12(20-11)13(15,16)17/h2-5,7,10,18H,6H2,1H3
InChIKeyVCYSSVOZALYYCU-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106783011) is 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CNC(Cc1ccc(Br)cc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is VCYSSVOZALYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c1-18-10(6-8-2-4-9(14)5-3-8)11-7-19-12(20-11)13(15,16)17/h2-5,7,10,18H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 365.22 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106783011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).