2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine

C11H9BrF2N2S — CID 116868367

IUPAC2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1nc(-c2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C11H9BrF2N2S/c12-10-9(3-4-15)16-11(17-10)6-1-2-7(13)8(14)5-6/h1-2,5H,3-4,15H2
InChIKeyCMKIVEHQCYGXKW-UHFFFAOYSA-N
MW319.17 g/mol
LogP3.35
Rot. Bonds3

About 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine

2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 116868367) has the molecular formula C11H9BrF2N2S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID116868367
Molecular FormulaC11H9BrF2N2S
Molecular Weight319.17 g/mol
Exact Mass317.96
IUPAC Name2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1nc(-c2ccc(F)c(F)c2)sc1Br
InChIInChI=1S/C11H9BrF2N2S/c12-10-9(3-4-15)16-11(17-10)6-1-2-7(13)8(14)5-6/h1-2,5H,3-4,15H2
InChIKeyCMKIVEHQCYGXKW-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
4-bromo-2-(3,4-difluorophenyl)-1,3-benzothiazol-5-amine
CID 130270172
2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
CID 116885934
2-[5-bromo-2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 19800536
2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 56773382
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 116868367) is 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine is NCCc1nc(-c2ccc(F)c(F)c2)sc1Br.
What is the InChIKey of 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CMKIVEHQCYGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2S/c12-10-9(3-4-15)16-11(17-10)6-1-2-7(13)8(14)5-6/h1-2,5H,3-4,15H2.
What are the key properties of 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine?
2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 319.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 116868367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).