5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

C8H7BrClN3S — CID 126478186

IUPAC5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccccc2Br)s1
InChIInChI=1S/C8H6BrN3S.ClH/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;/h1-4H,(H2,10,12);1H
InChIKeySHOOWLJVVNEOOF-UHFFFAOYSA-N
MW292.59 g/mol
LogP2.97
Rot. Bonds1

About 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 126478186) has the molecular formula C8H7BrClN3S and a molecular weight of 292.59 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID126478186
Molecular FormulaC8H7BrClN3S
Molecular Weight292.59 g/mol
Exact Mass290.92
IUPAC Name5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1nnc(-c2ccccc2Br)s1
InChIInChI=1S/C8H6BrN3S.ClH/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;/h1-4H,(H2,10,12);1H
InChIKeySHOOWLJVVNEOOF-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 126478186) is 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1nnc(-c2ccccc2Br)s1.
What is the InChIKey of 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is SHOOWLJVVNEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S.ClH/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;/h1-4H,(H2,10,12);1H.
What are the key properties of 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 292.59 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 126478186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).