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

C7H5Br2N3S2 — CID 107966911

IUPAC[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C7H5Br2N3S2/c8-4-1-3(6(9)13-4)7-12-11-5(2-10)14-7/h1H,2,10H2
InChIKeyUQLDYMCCPKHRNE-UHFFFAOYSA-N
MW355.08 g/mol
LogP3.25
Rot. Bonds2

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

[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 107966911) has the molecular formula C7H5Br2N3S2 and a molecular weight of 355.08 g/mol. Its IUPAC name is [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID107966911
Molecular FormulaC7H5Br2N3S2
Molecular Weight355.08 g/mol
Exact Mass352.83
IUPAC Name[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2cc(Br)sc2Br)s1
InChIInChI=1S/C7H5Br2N3S2/c8-4-1-3(6(9)13-4)7-12-11-5(2-10)14-7/h1H,2,10H2
InChIKeyUQLDYMCCPKHRNE-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.08
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 107966911) is [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(-c2cc(Br)sc2Br)s1.
What is the InChIKey of [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is UQLDYMCCPKHRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N3S2/c8-4-1-3(6(9)13-4)7-12-11-5(2-10)14-7/h1H,2,10H2.
What are the key properties of [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 355.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 107966911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).