5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole

C13H8BrN3S — CID 57403526

IUPAC5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole
SMILESBrc1cccc(-c2nc(-c3cccnc3)ns2)c1
InChIInChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H
InChIKeyOBAQZPONMJOLHP-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.03
Rot. Bonds2

About 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole

5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole (PubChem CID 57403526) has the molecular formula C13H8BrN3S and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole
PubChem CID57403526
Molecular FormulaC13H8BrN3S
Molecular Weight318.20 g/mol
Exact Mass316.96
IUPAC Name5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole
SMILESBrc1cccc(-c2nc(-c3cccnc3)ns2)c1
InChIInChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H
InChIKeyOBAQZPONMJOLHP-UHFFFAOYSA-N
XLogP4.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole (CID 57403526) is 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole is Brc1cccc(-c2nc(-c3cccnc3)ns2)c1.
What is the InChIKey of 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole?
The InChIKey is OBAQZPONMJOLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3S/c14-11-5-1-3-9(7-11)13-16-12(17-18-13)10-4-2-6-15-8-10/h1-8H.
What are the key properties of 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole?
5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole has a molecular weight of 318.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-pyridin-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 57403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).