2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine

C15H19BrFN3S — CID 105172170

IUPAC2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)11(18-4)8-9-6-5-7-10(17)12(9)16/h5-7,11,18H,8H2,1-4H3
InChIKeyHQXAUHMBSMQANY-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.24
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine

2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine (PubChem CID 105172170) has the molecular formula C15H19BrFN3S and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
PubChem CID105172170
Molecular FormulaC15H19BrFN3S
Molecular Weight372.31 g/mol
Exact Mass371.05
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)11(18-4)8-9-6-5-7-10(17)12(9)16/h5-7,11,18H,8H2,1-4H3
InChIKeyHQXAUHMBSMQANY-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105169475
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105121285
[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
CID 105283999
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105020651
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340927
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine (CID 105172170) is 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine is CNC(Cc1cccc(F)c1Br)c1snnc1C(C)(C)C.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The InChIKey is HQXAUHMBSMQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)11(18-4)8-9-6-5-7-10(17)12(9)16/h5-7,11,18H,8H2,1-4H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine has a molecular weight of 372.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105172170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).