N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C15H18BrFN2S — CID 61331610

IUPACN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C15H18BrFN2S/c1-4-18-14(11-6-5-10(16)7-12(11)17)15-19-13(8-20-15)9(2)3/h5-9,14,18H,4H2,1-3H3
InChIKeyUZVZYJHTGYLZMD-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.87
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61331610) has the molecular formula C15H18BrFN2S and a molecular weight of 357.29 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61331610
Molecular FormulaC15H18BrFN2S
Molecular Weight357.29 g/mol
Exact Mass356.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C15H18BrFN2S/c1-4-18-14(11-6-5-10(16)7-12(11)17)15-19-13(8-20-15)9(2)3/h5-9,14,18H,4H2,1-3H3
InChIKeyUZVZYJHTGYLZMD-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335850
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115990377
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61331610) is N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)c1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is UZVZYJHTGYLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2S/c1-4-18-14(11-6-5-10(16)7-12(11)17)15-19-13(8-20-15)9(2)3/h5-9,14,18H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 357.29 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61331610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).