1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C15H18BrFN2S — CID 62798822

IUPAC1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H18BrFN2S/c1-3-18-13(8-14-9-20-10(2)19-14)6-11-4-5-12(16)7-15(11)17/h4-5,7,9,13,18H,3,6,8H2,1-2H3
InChIKeyANGSVKGPIHTGDI-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.12
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 62798822) has the molecular formula C15H18BrFN2S and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID62798822
Molecular FormulaC15H18BrFN2S
Molecular Weight357.29 g/mol
Exact Mass356.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCCNC(Cc1csc(C)n1)Cc1ccc(Br)cc1F
InChIInChI=1S/C15H18BrFN2S/c1-3-18-13(8-14-9-20-10(2)19-14)6-11-4-5-12(16)7-15(11)17/h4-5,7,9,13,18H,3,6,8H2,1-2H3
InChIKeyANGSVKGPIHTGDI-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
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1-(3,4-difluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
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1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
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1-(2,4-difluorophenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799683
N-ethyl-1-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798637
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CID 82806184
1-(2,5-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
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1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796034
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644
1-(4-bromo-2-fluorophenyl)-N-ethylnonan-2-amine
CID 115844761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 62798822) is 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CCNC(Cc1csc(C)n1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is ANGSVKGPIHTGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2S/c1-3-18-13(8-14-9-20-10(2)19-14)6-11-4-5-12(16)7-15(11)17/h4-5,7,9,13,18H,3,6,8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 357.29 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 62798822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).