5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine

C7H5BrN4S — CID 135394700

IUPAC5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2Br)s1
InChIInChI=1S/C7H5BrN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyLDQZFULJHQQHAV-UHFFFAOYSA-N
MW257.12 g/mol
LogP1.94
Rot. Bonds1

About 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine

5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine (PubChem CID 135394700) has the molecular formula C7H5BrN4S and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine
PubChem CID135394700
Molecular FormulaC7H5BrN4S
Molecular Weight257.12 g/mol
Exact Mass255.94
IUPAC Name5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnccc2Br)s1
InChIInChI=1S/C7H5BrN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyLDQZFULJHQQHAV-UHFFFAOYSA-N
XLogP1.94
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 135395752
5-(2-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 126478186
5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 130565318
2-(3-bromo-4-pyridinyl)-5-iodo-1,3,4-thiadiazole
CID 131092023
4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenol
CID 136751543
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 63080140
4-bromo-3-pyridin-2-ylpyridine
CID 118988962
5-pyridazin-3-yl-1,3,4-thiadiazol-2-amine
CID 119085384
5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3,4-thiadiazol-2-amine
CID 135985614
5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
CID 130052776
5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 103863145

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine (CID 135394700) is 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cnccc2Br)s1.
What is the InChIKey of 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LDQZFULJHQQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,9,12).
What are the key properties of 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine?
5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 257.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-pyridinyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135394700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).