1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine

C10H9Br2N3S — CID 114376146

IUPAC1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C10H9Br2N3S/c1-5(13)9-14-15-10(16-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3
InChIKeyCQUANBOCLSSPNQ-UHFFFAOYSA-N
MW363.08 g/mol
LogP3.75
Rot. Bonds2

About 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 114376146) has the molecular formula C10H9Br2N3S and a molecular weight of 363.08 g/mol. Its IUPAC name is 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID114376146
Molecular FormulaC10H9Br2N3S
Molecular Weight363.08 g/mol
Exact Mass360.89
IUPAC Name1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C10H9Br2N3S/c1-5(13)9-14-15-10(16-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3
InChIKeyCQUANBOCLSSPNQ-UHFFFAOYSA-N
XLogP3.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.08
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107966917
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107995047
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
CID 61470004
1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104672976
1-[5-(2-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205481
1-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107101149
2-(5-bromo-2-methoxyphenyl)-5-(1-bromopropyl)-1,3,4-thiadiazole
CID 112742087
2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
CID 82489508
5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707158
4-bromo-2-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]phenol
CID 137173492
N-[3-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 114376162
2-bromo-5-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole
CID 63384076

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 114376146) is 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(N)c1nnc(-c2cc(Br)ccc2Br)s1.
What is the InChIKey of 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is CQUANBOCLSSPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3S/c1-5(13)9-14-15-10(16-9)7-4-6(11)2-3-8(7)12/h2-5H,13H2,1H3.
What are the key properties of 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 363.08 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 114376146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).