3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine

C10H9BrFN3S — CID 107924739

IUPAC3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2cc(F)ccc2Br)ns1
InChIInChI=1S/C10H9BrFN3S/c1-2-13-10-14-9(15-16-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyGTXPIPXYIKWQBV-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.54
Rot. Bonds3

About 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine

3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 107924739) has the molecular formula C10H9BrFN3S and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID107924739
Molecular FormulaC10H9BrFN3S
Molecular Weight302.17 g/mol
Exact Mass300.97
IUPAC Name3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2cc(F)ccc2Br)ns1
InChIInChI=1S/C10H9BrFN3S/c1-2-13-10-14-9(15-16-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyGTXPIPXYIKWQBV-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268631
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
N-ethyl-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66066330
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
3-(2-bromo-3,4-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 107541096
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997
4-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107923395

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine (CID 107924739) is 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2cc(F)ccc2Br)ns1.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is GTXPIPXYIKWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3S/c1-2-13-10-14-9(15-16-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 302.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107924739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).