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

C11H11BrFN3S — CID 105167406

IUPACN-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3S/c1-2-14-11(10-6-17-16-15-10)8-5-7(12)3-4-9(8)13/h3-6,11,14H,2H2,1H3
InChIKeyIRESGNMJOIPNMX-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.14
Rot. Bonds4

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

N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine (PubChem CID 105167406) has the molecular formula C11H11BrFN3S and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
PubChem CID105167406
Molecular FormulaC11H11BrFN3S
Molecular Weight316.20 g/mol
Exact Mass314.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csnn1)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3S/c1-2-14-11(10-6-17-16-15-10)8-5-7(12)3-4-9(8)13/h3-6,11,14H,2H2,1H3
InChIKeyIRESGNMJOIPNMX-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
CID 105113694
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
N-[(5-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methyl]ethanamine
CID 105167359
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
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-[(3-bromo-2,4-dimethoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 103524505
N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
N-[(5-bromo-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]ethanamine
CID 105011782
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine (CID 105167406) is N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine is CCNC(c1csnn1)c1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine?
The InChIKey is IRESGNMJOIPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3S/c1-2-14-11(10-6-17-16-15-10)8-5-7(12)3-4-9(8)13/h3-6,11,14H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine has a molecular weight of 316.20 g/mol, XLogP of 3.14, 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)-(thiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105167406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).