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

C9H8IN3S — CID 131115490

IUPAC5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(I)ns2)nc1C
InChIInChI=1S/C9H8IN3S/c1-5-3-4-7(11-6(5)2)8-12-9(10)13-14-8/h3-4H,1-2H3
InChIKeyNVZHKUFHIJJWIE-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.82
Rot. Bonds1

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

5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole (PubChem CID 131115490) has the molecular formula C9H8IN3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole
PubChem CID131115490
Molecular FormulaC9H8IN3S
Molecular Weight317.16 g/mol
Exact Mass316.95
IUPAC Name5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(I)ns2)nc1C
InChIInChI=1S/C9H8IN3S/c1-5-3-4-7(11-6(5)2)8-12-9(10)13-14-8/h3-4H,1-2H3
InChIKeyNVZHKUFHIJJWIE-UHFFFAOYSA-N
XLogP2.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.82
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

3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
3-iodo-5-(6-methyl-2-pyridinyl)-1,2,4-thiadiazole
CID 102943503
3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole
CID 103130050
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
5-(4-chloro-3-methylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943546
4-(5,6-dimethyl-2-pyridinyl)-3,5-dimethylpyridine
CID 59083909
5-[(2,5-dimethylphenyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 102943649
5-(2,5-dichlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943754
3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
CID 103130052
5-(5,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazol-3-amine
CID 131187800
6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420
2,3-dimethyl-6-(6-methyl-3-pyridinyl)pyridine
CID 59083915

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole (CID 131115490) is 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole is Cc1ccc(-c2nc(I)ns2)nc1C.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole?
The InChIKey is NVZHKUFHIJJWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3S/c1-5-3-4-7(11-6(5)2)8-12-9(10)13-14-8/h3-4H,1-2H3.
What are the key properties of 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole?
5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole has a molecular weight of 317.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridinyl)-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 131115490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).