N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C14H16BrFN2S — CID 81339461

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)c1cc(Br)ccc1F)c1nccs1
InChIInChI=1S/C14H16BrFN2S/c1-3-13(14-17-6-7-19-14)18-9(2)11-8-10(15)4-5-12(11)16/h4-9,13,18H,3H2,1-2H3
InChIKeyKGDNTBSTLADMTG-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.85
Rot. Bonds5

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 81339461) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID81339461
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NC(C)c1cc(Br)ccc1F)c1nccs1
InChIInChI=1S/C14H16BrFN2S/c1-3-13(14-17-6-7-19-14)18-9(2)11-8-10(15)4-5-12(11)16/h4-9,13,18H,3H2,1-2H3
InChIKeyKGDNTBSTLADMTG-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 82964592
N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335969
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-methoxybutan-2-amine
CID 81338305
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
CID 82962799
1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 114894483
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81144527
1-(4-bromophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 81380496
(3R)-3-[1-(5-bromo-2-fluorophenyl)ethylamino]butan-1-ol
CID 103871607
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 81339461) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NC(C)c1cc(Br)ccc1F)c1nccs1.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is KGDNTBSTLADMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-3-13(14-17-6-7-19-14)18-9(2)11-8-10(15)4-5-12(11)16/h4-9,13,18H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 343.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 81339461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).