N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C15H9BrF3N3OS — CID 59128894

IUPACN-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2cccnc2Oc2ccccc2Br)n1
InChIInChI=1S/C15H9BrF3N3OS/c16-9-4-1-2-6-11(9)23-13-10(5-3-7-20-13)21-14-22-12(8-24-14)15(17,18)19/h1-8H,(H,21,22)
InChIKeyFIKPBXUAHMXWBN-UHFFFAOYSA-N
MW416.22 g/mol
LogP5.86
Rot. Bonds4

About N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 59128894) has the molecular formula C15H9BrF3N3OS and a molecular weight of 416.22 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID59128894
Molecular FormulaC15H9BrF3N3OS
Molecular Weight416.22 g/mol
Exact Mass414.96
IUPAC NameN-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(Nc2cccnc2Oc2ccccc2Br)n1
InChIInChI=1S/C15H9BrF3N3OS/c16-9-4-1-2-6-11(9)23-13-10(5-3-7-20-13)21-14-22-12(8-24-14)15(17,18)19/h1-8H,(H,21,22)
InChIKeyFIKPBXUAHMXWBN-UHFFFAOYSA-N
XLogP5.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.22
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 59128894) is N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(Nc2cccnc2Oc2ccccc2Br)n1.
What is the InChIKey of N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is FIKPBXUAHMXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3OS/c16-9-4-1-2-6-11(9)23-13-10(5-3-7-20-13)21-14-22-12(8-24-14)15(17,18)19/h1-8H,(H,21,22).
What are the key properties of N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 416.22 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59128894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).