2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide

C11H12BrFN2S — CID 127046715

IUPAC2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
SMILESBr.NCCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C11H11FN2S.BrH/c12-9-4-2-1-3-8(9)10-7-15-11(14-10)5-6-13;/h1-4,7H,5-6,13H2;1H
InChIKeyNGXWWSQUFJGYMK-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide

2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide (PubChem CID 127046715) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
PubChem CID127046715
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC Name2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
SMILESBr.NCCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C11H11FN2S.BrH/c12-9-4-2-1-3-8(9)10-7-15-11(14-10)5-6-13;/h1-4,7H,5-6,13H2;1H
InChIKeyNGXWWSQUFJGYMK-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide?
The IUPAC name of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide (CID 127046715) is 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide?
The canonical SMILES for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide is Br.NCCc1nc(-c2ccccc2F)cs1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide?
The InChIKey is NGXWWSQUFJGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S.BrH/c12-9-4-2-1-3-8(9)10-7-15-11(14-10)5-6-13;/h1-4,7H,5-6,13H2;1H.
What are the key properties of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide?
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide has a molecular weight of 303.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide is sourced from PubChem (CID 127046715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).