2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole

C8H6BrN3S — CID 135396636

IUPAC2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(Br)cn2)s1
InChIInChI=1S/C8H6BrN3S/c1-5-11-12-8(13-5)7-3-2-6(9)4-10-7/h2-4H,1H3
InChIKeyXHBTYRBKJOLOOR-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.67
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole

2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole (PubChem CID 135396636) has the molecular formula C8H6BrN3S and a molecular weight of 256.13 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
PubChem CID135396636
Molecular FormulaC8H6BrN3S
Molecular Weight256.13 g/mol
Exact Mass254.95
IUPAC Name2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc(Br)cn2)s1
InChIInChI=1S/C8H6BrN3S/c1-5-11-12-8(13-5)7-3-2-6(9)4-10-7/h2-4H,1H3
InChIKeyXHBTYRBKJOLOOR-UHFFFAOYSA-N
XLogP2.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
N-[5-(5-bromo-2-pyridinyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 23458626
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
CID 169499011
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361381
2,5-bis(5-bromo-2-pyridinyl)benzene-1,4-diamine
CID 138455289
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773
2-(6-chloro-2-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347543
2-(5-bromo-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66201515
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359583
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole (CID 135396636) is 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2ccc(Br)cn2)s1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is XHBTYRBKJOLOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S/c1-5-11-12-8(13-5)7-3-2-6(9)4-10-7/h2-4H,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole?
2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 256.13 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 135396636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).