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

C8H7Br2N3S2 — CID 107966917

IUPAC1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C8H7Br2N3S2/c1-3(11)7-12-13-8(15-7)4-2-5(9)14-6(4)10/h2-3H,11H2,1H3
InChIKeyKRCZDFMSXFFMRB-UHFFFAOYSA-N
MW369.11 g/mol
LogP3.81
Rot. Bonds2

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

1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 107966917) has the molecular formula C8H7Br2N3S2 and a molecular weight of 369.11 g/mol. Its IUPAC name is 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID107966917
Molecular FormulaC8H7Br2N3S2
Molecular Weight369.11 g/mol
Exact Mass366.84
IUPAC Name1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C8H7Br2N3S2/c1-3(11)7-12-13-8(15-7)4-2-5(9)14-6(4)10/h2-3H,11H2,1H3
InChIKeyKRCZDFMSXFFMRB-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromopropyl)-5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazole
CID 107966909
1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114376146
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104672976
3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 107966914
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107995047
5-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707158
1-[5-(2-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205481
1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 107965342
1-[5-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107101149
1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81324350
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129833

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 107966917) is 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CC(N)c1nnc(-c2cc(Br)sc2Br)s1.
What is the InChIKey of 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is KRCZDFMSXFFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3S2/c1-3(11)7-12-13-8(15-7)4-2-5(9)14-6(4)10/h2-3H,11H2,1H3.
What are the key properties of 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 369.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 107966917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).