N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine

C15H10BrFN2S — CID 87697826

IUPACN-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine
SMILESFc1cc(Nc2nccs2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrFN2S/c16-11-3-1-10(2-4-11)13-6-5-12(9-14(13)17)19-15-18-7-8-20-15/h1-9H,(H,18,19)
InChIKeyLXENCZWGZDIAAG-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.46
Rot. Bonds3

About N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine

N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine (PubChem CID 87697826) has the molecular formula C15H10BrFN2S and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine
PubChem CID87697826
Molecular FormulaC15H10BrFN2S
Molecular Weight349.23 g/mol
Exact Mass347.97
IUPAC NameN-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine
SMILESFc1cc(Nc2nccs2)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrFN2S/c16-11-3-1-10(2-4-11)13-6-5-12(9-14(13)17)19-15-18-7-8-20-15/h1-9H,(H,18,19)
InChIKeyLXENCZWGZDIAAG-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine (CID 87697826) is N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine is Fc1cc(Nc2nccs2)ccc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine?
The InChIKey is LXENCZWGZDIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2S/c16-11-3-1-10(2-4-11)13-6-5-12(9-14(13)17)19-15-18-7-8-20-15/h1-9H,(H,18,19).
What are the key properties of N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine?
N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine has a molecular weight of 349.23 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-fluorophenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87697826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).