3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole

C6H7IN2S — CID 102943808

IUPAC3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1CC1c1nc(I)ns1
InChIInChI=1S/C6H7IN2S/c1-3-2-4(3)5-8-6(7)9-10-5/h3-4H,2H2,1H3
InChIKeyYRGMZQXTHROGOQ-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.27
Rot. Bonds1

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

3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 102943808) has the molecular formula C6H7IN2S and a molecular weight of 266.11 g/mol. Its IUPAC name is 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole
PubChem CID102943808
Molecular FormulaC6H7IN2S
Molecular Weight266.11 g/mol
Exact Mass265.94
IUPAC Name3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1CC1c1nc(I)ns1
InChIInChI=1S/C6H7IN2S/c1-3-2-4(3)5-8-6(7)9-10-5/h3-4H,2H2,1H3
InChIKeyYRGMZQXTHROGOQ-UHFFFAOYSA-N
XLogP2.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclopropyl-1,2,4-thiadiazol-3-amine
CID 64538822
5-(2-Fluoro-1-methylcyclopropyl)-3-iodo-1,2,4-thiadiazole
CID 131198196
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Ethyl-3-iodo-1,2,4-thiadiazole
CID 71031790
3-Bromo-5-cyclopropyl-1,2,4-thiadiazole
CID 84672863
3-Cyclopropyl-5-methyl-1,2,4-thiadiazole
CID 90400212
5-Cyclopropyl-3-methyl-1,2,4-thiadiazole
CID 91244330
3-Chloro-5-cyclopropyl-1,2,4-thiadiazole
CID 119106312
5-Cyclopropyl-3-iodo-1,2,4-thiadiazole
CID 121601594
5-Butan-2-yl-3-iodo-1,2,4-thiadiazole
CID 121601629
3-Iodo-5-propan-2-yl-1,2,4-thiadiazole
CID 121604045
5-Methyl-3-(2-methylcyclopropyl)-1,2,4-thiadiazole
CID 135170508

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole (CID 102943808) is 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole is CC1CC1c1nc(I)ns1.
What is the InChIKey of 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is YRGMZQXTHROGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2S/c1-3-2-4(3)5-8-6(7)9-10-5/h3-4H,2H2,1H3.
What are the key properties of 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole?
3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 266.11 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(2-methylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).