3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole

C8H6IN3S — CID 102943503

IUPAC3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nc(I)ns2)n1
InChIInChI=1S/C8H6IN3S/c1-5-3-2-4-6(10-5)7-11-8(9)12-13-7/h2-4H,1H3
InChIKeyDFFSGNKSJFXYEK-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.51
Rot. Bonds1

About 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole

3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole (PubChem CID 102943503) has the molecular formula C8H6IN3S and a molecular weight of 303.13 g/mol. Its IUPAC name is 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole
PubChem CID102943503
Molecular FormulaC8H6IN3S
Molecular Weight303.13 g/mol
Exact Mass302.93
IUPAC Name3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole
SMILESCc1cccc(-c2nc(I)ns2)n1
InChIInChI=1S/C8H6IN3S/c1-5-3-2-4-6(10-5)7-11-8(9)12-13-7/h2-4H,1H3
InChIKeyDFFSGNKSJFXYEK-UHFFFAOYSA-N
XLogP2.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole
CID 131115490
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
3-amino-2-(6-methyl-2-pyridinyl)phenol
CID 135788319
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
2,6-dimethylpyridine;sulfane
CID 134564621
2,6-dimethylpyridine;ethane
CID 54453947
2-methyl-6-(4-methylthiophen-3-yl)pyridine
CID 58416818
2-anthracen-9-yl-6-methylpyridine
CID 144659337
dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
CID 18719425
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
2-methyl-6-[6-[2-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 14148604

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole (CID 102943503) is 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole is Cc1cccc(-c2nc(I)ns2)n1.
What is the InChIKey of 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is DFFSGNKSJFXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3S/c1-5-3-2-4-6(10-5)7-11-8(9)12-13-7/h2-4H,1H3.
What are the key properties of 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole?
3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 303.13 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).