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

C12H9BrF4N2S — CID 106785993

IUPAC1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1cc(F)ccc1Br
InChIInChI=1S/C12H9BrF4N2S/c1-18-10(7-4-6(14)2-3-8(7)13)9-5-19-11(20-9)12(15,16)17/h2-5,10,18H,1H3
InChIKeyIAFQYZPOBMOHAH-UHFFFAOYSA-N
MW369.18 g/mol
LogP4.37
Rot. Bonds3

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

1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785993) has the molecular formula C12H9BrF4N2S and a molecular weight of 369.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785993
Molecular FormulaC12H9BrF4N2S
Molecular Weight369.18 g/mol
Exact Mass367.96
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1cc(F)ccc1Br
InChIInChI=1S/C12H9BrF4N2S/c1-18-10(7-4-6(14)2-3-8(7)13)9-5-19-11(20-9)12(15,16)17/h2-5,10,18H,1H3
InChIKeyIAFQYZPOBMOHAH-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785812
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783493
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786388
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785216
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786008
1-(3-chloro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786237
1-(3,5-dichlorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785809
N-methyl-1-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783534
1-(4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782941
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
1-(4-chloro-3-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786395

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785993) is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is IAFQYZPOBMOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF4N2S/c1-18-10(7-4-6(14)2-3-8(7)13)9-5-19-11(20-9)12(15,16)17/h2-5,10,18H,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 369.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).