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

C9H9Br2N3S2 — CID 107966914

IUPAC3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C9H9Br2N3S2/c10-6-4-5(8(11)15-6)9-14-13-7(16-9)2-1-3-12/h4H,1-3,12H2
InChIKeyYJXLWYQOXKOOJC-UHFFFAOYSA-N
MW383.13 g/mol
LogP3.68
Rot. Bonds4

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

3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 107966914) has the molecular formula C9H9Br2N3S2 and a molecular weight of 383.13 g/mol. Its IUPAC name is 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID107966914
Molecular FormulaC9H9Br2N3S2
Molecular Weight383.13 g/mol
Exact Mass380.86
IUPAC Name3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESNCCCc1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C9H9Br2N3S2/c10-6-4-5(8(11)15-6)9-14-13-7(16-9)2-1-3-12/h4H,1-3,12H2
InChIKeyYJXLWYQOXKOOJC-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.13
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
3-[5-(2-bromo-5-iodophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114026677
1-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 107966917
3-[5-(2-chloro-4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106864411
2-(1-bromopropyl)-5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazole
CID 107966909
3-[5-(5-chlorofuran-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 106690471
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182
2-(2-bromo-3-methylphenyl)-5-(3-chloropropyl)-1,3,4-thiadiazole
CID 107984191
2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 98019634
3-[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81116623
2-[5-(2-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 114025393
2-[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360147

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 107966914) is 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is NCCCc1nnc(-c2cc(Br)sc2Br)s1.
What is the InChIKey of 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is YJXLWYQOXKOOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3S2/c10-6-4-5(8(11)15-6)9-14-13-7(16-9)2-1-3-12/h4H,1-3,12H2.
What are the key properties of 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 383.13 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 107966914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).