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

C7H3I2N3S — CID 135394444

IUPAC2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole
SMILESIc1ccc(-c2nnc(I)s2)cn1
InChIInChI=1S/C7H3I2N3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyVUGLAKDTLQIFGQ-UHFFFAOYSA-N
MW415.00 g/mol
LogP2.81
Rot. Bonds1

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

2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 135394444) has the molecular formula C7H3I2N3S and a molecular weight of 415.00 g/mol. Its IUPAC name is 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID135394444
Molecular FormulaC7H3I2N3S
Molecular Weight415.00 g/mol
Exact Mass414.81
IUPAC Name2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole
SMILESIc1ccc(-c2nnc(I)s2)cn1
InChIInChI=1S/C7H3I2N3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyVUGLAKDTLQIFGQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.00
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
CID 135397072
2-iodo-5-(4-iodophenyl)-1,3,4-thiadiazole
CID 63383354
2-(3,5-dibromophenyl)-5-iodo-1,3,4-thiadiazole
CID 107974746
2-(3,5-dichlorophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383678
5-(6-iodo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135394491
2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
CID 135232785
2-iodo-5-thiophen-3-yl-1,3,4-thiadiazole
CID 63383787
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole
CID 63384144
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-thiadiazole
CID 81325218
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole (CID 135394444) is 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole is Ic1ccc(-c2nnc(I)s2)cn1.
What is the InChIKey of 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is VUGLAKDTLQIFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I2N3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H.
What are the key properties of 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole?
2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 415.00 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 135394444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).