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

C15H19BrFN3S — CID 105169475

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)12(18-4)7-9-5-10(16)8-11(17)6-9/h5-6,8,12,18H,7H2,1-4H3
InChIKeyDDTSVAYHTZYUOE-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.24
Rot. Bonds4

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

2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine (PubChem CID 105169475) has the molecular formula C15H19BrFN3S and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
PubChem CID105169475
Molecular FormulaC15H19BrFN3S
Molecular Weight372.31 g/mol
Exact Mass371.05
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)12(18-4)7-9-5-10(16)8-11(17)6-9/h5-6,8,12,18H,7H2,1-4H3
InChIKeyDDTSVAYHTZYUOE-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-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(3,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105412547
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105172170
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105158676
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105015520
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine (CID 105169475) is 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1snnc1C(C)(C)C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
The InChIKey is DDTSVAYHTZYUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3S/c1-15(2,3)14-13(21-20-19-14)12(18-4)7-9-5-10(16)8-11(17)6-9/h5-6,8,12,18H,7H2,1-4H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 105169475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).