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

C12H10BrF3N2S — CID 106783119

IUPAC1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccccc1Br
InChIInChI=1S/C12H10BrF3N2S/c1-17-10(7-4-2-3-5-8(7)13)9-6-18-11(19-9)12(14,15)16/h2-6,10,17H,1H3
InChIKeyYDFWWIYWVQQGAS-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.23
Rot. Bonds3

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

1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783119) has the molecular formula C12H10BrF3N2S and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783119
Molecular FormulaC12H10BrF3N2S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC Name1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccccc1Br
InChIInChI=1S/C12H10BrF3N2S/c1-17-10(7-4-2-3-5-8(7)13)9-6-18-11(19-9)12(14,15)16/h2-6,10,17H,1H3
InChIKeyYDFWWIYWVQQGAS-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783119) is 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YDFWWIYWVQQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2S/c1-17-10(7-4-2-3-5-8(7)13)9-6-18-11(19-9)12(14,15)16/h2-6,10,17H,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 351.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).