2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C12H12BrFN2S — CID 82966778

IUPAC2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C12H12BrFN2S/c1-15-5-4-12-16-11(7-17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyCWVKKTUAIHOFTG-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 82966778) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID82966778
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(Br)ccc2F)cs1
InChIInChI=1S/C12H12BrFN2S/c1-15-5-4-12-16-11(7-17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3
InChIKeyCWVKKTUAIHOFTG-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 82969419
2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82496673
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5207559
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780
4-(5-bromo-2-fluorophenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 82967016
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 82966778) is 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cc(Br)ccc2F)cs1.
What is the InChIKey of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is CWVKKTUAIHOFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-15-5-4-12-16-11(7-17-12)9-6-8(13)2-3-10(9)14/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 315.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82966778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).