N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine

C15H19BrFN3S — CID 105167359

IUPACN-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1F)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-5-18-12(10-8-9(16)6-7-11(10)17)13-14(15(2,3)4)19-20-21-13/h6-8,12,18H,5H2,1-4H3
InChIKeyBEKGAGFWFPMTPM-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.44
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105167359) has the molecular formula C15H19BrFN3S and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105167359
Molecular FormulaC15H19BrFN3S
Molecular Weight372.31 g/mol
Exact Mass371.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1F)c1snnc1C(C)(C)C
InChIInChI=1S/C15H19BrFN3S/c1-5-18-12(10-8-9(16)6-7-11(10)17)13-14(15(2,3)4)19-20-21-13/h6-8,12,18H,5H2,1-4H3
InChIKeyBEKGAGFWFPMTPM-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butylthiadiazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142749
N-[(4-tert-butylthiadiazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130488
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006
N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105167406
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096903
N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105143962
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(5-bromo-2-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 79743205
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 106763062

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine (CID 105167359) is N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cc(Br)ccc1F)c1snnc1C(C)(C)C.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is BEKGAGFWFPMTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3S/c1-5-18-12(10-8-9(16)6-7-11(10)17)13-14(15(2,3)4)19-20-21-13/h6-8,12,18H,5H2,1-4H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 372.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).